# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2ca71601-51db-4ea6-ac62-6e755c06a8e0/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for CdI2 / R-3m (166) / materials id 573588](https://mdr.nims.go.jp/datasets/f15fc911-dd27-482b-a59b-357641c8029c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "R-3m" number: 166 Hall_symbol: "-R 3 2\""primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.110887230000002, 1.218721313333332, 27.402760676666642 ] # a - [ -2.110887229999998, 1.218721313333332, 27.402760676666642 ] # b - [ 0.000000000000002, -2.437442626666668, 27.402760676666642 ] # c points: - symbol: Cd # 1 coordinates: [ 0.458342870000000, 0.458342870000001, 0.458342870000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.958328150000000, 0.958328140000001, 0.958328150000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.041671860000000, 0.041671850000001, 0.041671860000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.541657130000000, 0.541657130000002, 0.541657130000000 ] mass: 112.411000 - symbol: I # 5 coordinates: [ 0.145745560000000, 0.145745550000001, 0.145745560000000 ] mass: 126.904470 - symbol: I # 6 coordinates: [ 0.687598610000000, 0.687598620000001, 0.687598610000000 ] mass: 126.904470 - symbol: I # 7 coordinates: [ 0.229064410000000, 0.229064400000002, 0.229064410000000 ] mass: 126.904470 - symbol: I # 8 coordinates: [ 0.770935590000000, 0.770935600000001, 0.770935590000000 ] mass: 126.904470 - symbol: I # 9 coordinates: [ 0.395747600000000, 0.395747600000001, 0.395747600000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.604252400000000, 0.604252410000001, 0.604252400000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.312401390000000, 0.312401390000001, 0.312401390000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.854254440000000, 0.854254450000002, 0.854254440000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236867224783012, 0.136755355669308, 0.012164224519800 ] # a* - [ -0.236867224783012, 0.136755355669308, 0.012164224519801 ] # b* - [ 0.000000000000000, -0.273510711338617, 0.012164224519800 ] # c*unit_cell: lattice: - [ 4.221774460000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110887230000000, 3.656163940000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 82.208282030000007 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.458342870000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.291661480000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.375005190000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.541657130000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.791676200000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.624994810000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.708338520000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.874990470000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.125009530000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.958328140000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.041671860000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.208323800000000 ] mass: 112.411000 reduced_to: 4 - symbol: I # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.479078890000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.354265280000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.562397740000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.437602260000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.395747600000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.270919070000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.312401390000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.520921110000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.812412220000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.687598610000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.895731080000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.770935590000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.729080930000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.604252400000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.645734720000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.854254450000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.145745550000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.020931950000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.229064410000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.104268920000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 33 coordinates: [ 0.333333330000000, 0.666666670000000, 0.062414260000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.937585740000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.979068050000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.187587780000000 ] mass: 126.904470 reduced_to: 20supercell: lattice: - [ 8.443548920000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.221774460000000, 7.312327880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 82.208282030000007 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.458342870000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.458342870000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.458342870000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.458342870000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 5 coordinates: [ 0.333333335000000, 0.166666665000000, 0.291661480000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.833333335000000, 0.166666665000000, 0.291661480000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 7 coordinates: [ 0.333333335000000, 0.666666665000000, 0.291661480000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 8 coordinates: [ 0.833333335000000, 0.666666665000000, 0.291661480000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 9 coordinates: [ 0.333333335000000, 0.166666665000000, 0.375005190000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.833333335000000, 0.166666665000000, 0.375005190000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 11 coordinates: [ 0.333333335000000, 0.666666665000000, 0.375005190000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 12 coordinates: [ 0.833333335000000, 0.666666665000000, 0.375005190000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.541657130000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.541657130000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.541657130000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.541657130000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 17 coordinates: [ 0.333333335000000, 0.166666665000000, 0.791676200000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 18 coordinates: [ 0.833333335000000, 0.166666665000000, 0.791676200000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 19 coordinates: [ 0.333333335000000, 0.666666665000000, 0.791676200000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 20 coordinates: [ 0.833333335000000, 0.666666665000000, 0.791676200000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 21 coordinates: [ 0.166666665000000, 0.333333335000000, 0.624994810000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 22 coordinates: [ 0.666666665000000, 0.333333335000000, 0.624994810000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 23 coordinates: [ 0.166666665000000, 0.833333335000000, 0.624994810000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 24 coordinates: [ 0.666666665000000, 0.833333335000000, 0.624994810000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 25 coordinates: [ 0.166666665000000, 0.333333335000000, 0.708338520000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 26 coordinates: [ 0.666666665000000, 0.333333335000000, 0.708338520000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 27 coordinates: [ 0.166666665000000, 0.833333335000000, 0.708338520000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 28 coordinates: [ 0.666666665000000, 0.833333335000000, 0.708338520000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 29 coordinates: [ 0.333333335000000, 0.166666665000000, 0.874990470000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 30 coordinates: [ 0.833333335000000, 0.166666665000000, 0.874990470000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 31 coordinates: [ 0.333333335000000, 0.666666665000000, 0.874990470000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 32 coordinates: [ 0.833333335000000, 0.666666665000000, 0.874990470000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 33 coordinates: [ 0.166666665000000, 0.333333335000000, 0.125009530000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 34 coordinates: [ 0.666666665000000, 0.333333335000000, 0.125009530000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 35 coordinates: [ 0.166666665000000, 0.833333335000000, 0.125009530000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 36 coordinates: [ 0.666666665000000, 0.833333335000000, 0.125009530000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.958328140000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.958328140000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.958328140000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.958328140000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.041671860000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 42 coordinates: [ 0.500000000000000, 0.000000000000000, 0.041671860000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 43 coordinates: [ 0.000000000000000, 0.500000000000000, 0.041671860000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.041671860000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 45 coordinates: [ 0.166666665000000, 0.333333335000000, 0.208323800000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 46 coordinates: [ 0.666666665000000, 0.333333335000000, 0.208323800000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 47 coordinates: [ 0.166666665000000, 0.833333335000000, 0.208323800000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 48 coordinates: [ 0.666666665000000, 0.833333335000000, 0.208323800000000 ] mass: 112.411000 reduced_to: 13 - symbol: I # 49 coordinates: [ 0.333333335000000, 0.166666665000000, 0.479078890000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.833333335000000, 0.166666665000000, 0.479078890000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.333333335000000, 0.666666665000000, 0.479078890000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 52 coordinates: [ 0.833333335000000, 0.666666665000000, 0.479078890000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 53 coordinates: [ 0.166666665000000, 0.333333335000000, 0.354265280000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.666666665000000, 0.333333335000000, 0.354265280000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 55 coordinates: [ 0.166666665000000, 0.833333335000000, 0.354265280000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 56 coordinates: [ 0.666666665000000, 0.833333335000000, 0.354265280000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 57 coordinates: [ 0.333333335000000, 0.166666665000000, 0.562397740000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.833333335000000, 0.166666665000000, 0.562397740000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 59 coordinates: [ 0.333333335000000, 0.666666665000000, 0.562397740000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 60 coordinates: [ 0.833333335000000, 0.666666665000000, 0.562397740000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 61 coordinates: [ 0.166666665000000, 0.333333335000000, 0.437602260000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.666666665000000, 0.333333335000000, 0.437602260000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 63 coordinates: [ 0.166666665000000, 0.833333335000000, 0.437602260000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 64 coordinates: [ 0.666666665000000, 0.833333335000000, 0.437602260000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 65 coordinates: [ 0.000000000000000, 0.000000000000000, 0.395747600000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.500000000000000, 0.000000000000000, 0.395747600000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.395747600000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 68 coordinates: [ 0.500000000000000, 0.500000000000000, 0.395747600000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 69 coordinates: [ 0.166666665000000, 0.333333335000000, 0.270919070000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 70 coordinates: [ 0.666666665000000, 0.333333335000000, 0.270919070000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 71 coordinates: [ 0.166666665000000, 0.833333335000000, 0.270919070000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 72 coordinates: [ 0.666666665000000, 0.833333335000000, 0.270919070000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.312401390000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.312401390000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.312401390000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.312401390000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 77 coordinates: [ 0.166666665000000, 0.333333335000000, 0.520921110000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 78 coordinates: [ 0.666666665000000, 0.333333335000000, 0.520921110000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 79 coordinates: [ 0.166666665000000, 0.833333335000000, 0.520921110000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 80 coordinates: [ 0.666666665000000, 0.833333335000000, 0.520921110000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 81 coordinates: [ 0.166666665000000, 0.333333335000000, 0.812412220000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 82 coordinates: [ 0.666666665000000, 0.333333335000000, 0.812412220000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 83 coordinates: [ 0.166666665000000, 0.833333335000000, 0.812412220000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 84 coordinates: [ 0.666666665000000, 0.833333335000000, 0.812412220000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.687598610000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.687598610000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 87 coordinates: [ 0.000000000000000, 0.500000000000000, 0.687598610000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 88 coordinates: [ 0.500000000000000, 0.500000000000000, 0.687598610000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 89 coordinates: [ 0.166666665000000, 0.333333335000000, 0.895731080000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 90 coordinates: [ 0.666666665000000, 0.333333335000000, 0.895731080000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 91 coordinates: [ 0.166666665000000, 0.833333335000000, 0.895731080000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 92 coordinates: [ 0.666666665000000, 0.833333335000000, 0.895731080000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.770935590000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.770935590000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.770935590000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.770935590000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 97 coordinates: [ 0.333333335000000, 0.166666665000000, 0.729080930000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 98 coordinates: [ 0.833333335000000, 0.166666665000000, 0.729080930000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 99 coordinates: [ 0.333333335000000, 0.666666665000000, 0.729080930000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 100 coordinates: [ 0.833333335000000, 0.666666665000000, 0.729080930000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 101 coordinates: [ 0.000000000000000, 0.000000000000000, 0.604252400000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 102 coordinates: [ 0.500000000000000, 0.000000000000000, 0.604252400000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 103 coordinates: [ 0.000000000000000, 0.500000000000000, 0.604252400000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 104 coordinates: [ 0.500000000000000, 0.500000000000000, 0.604252400000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 105 coordinates: [ 0.333333335000000, 0.166666665000000, 0.645734720000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 106 coordinates: [ 0.833333335000000, 0.166666665000000, 0.645734720000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 107 coordinates: [ 0.333333335000000, 0.666666665000000, 0.645734720000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 108 coordinates: [ 0.833333335000000, 0.666666665000000, 0.645734720000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.854254450000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 110 coordinates: [ 0.500000000000000, 0.000000000000000, 0.854254450000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 111 coordinates: [ 0.000000000000000, 0.500000000000000, 0.854254450000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 112 coordinates: [ 0.500000000000000, 0.500000000000000, 0.854254450000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.145745550000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 114 coordinates: [ 0.500000000000000, 0.000000000000000, 0.145745550000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 115 coordinates: [ 0.000000000000000, 0.500000000000000, 0.145745550000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 116 coordinates: [ 0.500000000000000, 0.500000000000000, 0.145745550000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 117 coordinates: [ 0.333333335000000, 0.166666665000000, 0.020931950000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 118 coordinates: [ 0.833333335000000, 0.166666665000000, 0.020931950000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 119 coordinates: [ 0.333333335000000, 0.666666665000000, 0.020931950000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 120 coordinates: [ 0.833333335000000, 0.666666665000000, 0.020931950000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 121 coordinates: [ 0.000000000000000, 0.000000000000000, 0.229064410000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 122 coordinates: [ 0.500000000000000, 0.000000000000000, 0.229064410000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 123 coordinates: [ 0.000000000000000, 0.500000000000000, 0.229064410000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 124 coordinates: [ 0.500000000000000, 0.500000000000000, 0.229064410000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 125 coordinates: [ 0.333333335000000, 0.166666665000000, 0.104268920000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 126 coordinates: [ 0.833333335000000, 0.166666665000000, 0.104268920000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 127 coordinates: [ 0.333333335000000, 0.666666665000000, 0.104268920000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 128 coordinates: [ 0.833333335000000, 0.666666665000000, 0.104268920000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 129 coordinates: [ 0.166666665000000, 0.333333335000000, 0.062414260000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 130 coordinates: [ 0.666666665000000, 0.333333335000000, 0.062414260000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 131 coordinates: [ 0.166666665000000, 0.833333335000000, 0.062414260000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 132 coordinates: [ 0.666666665000000, 0.833333335000000, 0.062414260000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 133 coordinates: [ 0.333333335000000, 0.166666665000000, 0.937585740000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 134 coordinates: [ 0.833333335000000, 0.166666665000000, 0.937585740000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 135 coordinates: [ 0.333333335000000, 0.666666665000000, 0.937585740000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 136 coordinates: [ 0.833333335000000, 0.666666665000000, 0.937585740000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 137 coordinates: [ 0.166666665000000, 0.333333335000000, 0.979068050000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 138 coordinates: [ 0.666666665000000, 0.333333335000000, 0.979068050000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 139 coordinates: [ 0.166666665000000, 0.833333335000000, 0.979068050000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 140 coordinates: [ 0.666666665000000, 0.833333335000000, 0.979068050000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 141 coordinates: [ 0.333333335000000, 0.166666665000000, 0.187587780000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 142 coordinates: [ 0.833333335000000, 0.166666665000000, 0.187587780000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 143 coordinates: [ 0.333333335000000, 0.666666665000000, 0.187587780000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 144 coordinates: [ 0.833333335000000, 0.666666665000000, 0.187587780000000 ] mass: 126.904470 reduced_to: 77displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0336949400000000, -0.0000003600000000, -0.0001331300000000 ] - [ 0.0114418100000000, 0.0000009500000000, -0.0001100800000000 ] - [ 0.0003798300000000, -0.0063862300000000, 0.0039767700000000 ] - [ 0.0003795900000000, 0.0063853800000000, -0.0041957600000000 ] - [ -0.0000007300000000, -0.0000050000000000, -0.0000806600000000 ] - [ -0.0000007900000000, 0.0000052000000000, -0.0000751700000000 ] - [ -0.0000098800000000, 0.0000001300000000, -0.0000778800000000 ] - [ 0.0000080800000000, 0.0000001200000000, -0.0000779400000000 ] - [ 0.0000258100000000, 0.0001747800000000, 0.0004397000000000 ] - [ 0.0000255700000000, -0.0001749900000000, -0.0000346900000000 ] - [ 0.0002580300000000, 0.0000001000000000, 0.0002026100000000 ] - [ -0.0002772100000000, -0.0000000700000000, 0.0002028300000000 ] - [ -0.0000845900000000, -0.0000003700000000, 0.0001103400000000 ] - [ 0.0000833200000000, 0.0000004000000000, 0.0001095000000000 ] - [ 0.0000463300000000, -0.0000210000000000, 0.0002784800000000 ] - [ 0.0000478200000000, 0.0000208600000000, -0.0000582600000000 ] - [ -0.0000007400000000, 0.0000003300000000, 0.0000449600000000 ] - [ -0.0000007000000000, -0.0000002300000000, 0.0000446500000000 ] - [ -0.0000004600000000, 0.0000000400000000, 0.0000448100000000 ] - [ -0.0000012000000000, 0.0000001000000000, 0.0000448100000000 ] - [ -0.0000049100000000, -0.0000000200000000, -0.0002024600000000 ] - [ 0.0000036300000000, 0.0000000000000000, -0.0002024000000000 ] - [ -0.0000004400000000, -0.0000025800000000, -0.0002025400000000 ] - [ -0.0000004200000000, 0.0000026000000000, -0.0002022900000000 ] - [ -0.0000010500000000, -0.0000001700000000, 0.0000781200000000 ] - [ -0.0000010800000000, -0.0000001200000000, 0.0000781400000000 ] - [ -0.0000004700000000, -0.0000004300000000, 0.0000779800000000 ] - [ -0.0000003900000000, 0.0000002700000000, 0.0000782800000000 ] - [ -0.0000003800000000, -0.0000001600000000, 0.0000845500000000 ] - [ -0.0000003200000000, 0.0000002000000000, 0.0000845300000000 ] - [ 0.0000000800000000, -0.0000000300000000, 0.0000844800000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0000844800000000 ] - [ -0.0000011300000000, -0.0000000300000000, -0.0000840700000000 ] - [ -0.0000003900000000, 0.0000000200000000, -0.0000840900000000 ] - [ -0.0000006300000000, -0.0000002800000000, -0.0000842300000000 ] - [ -0.0000006200000000, 0.0000003000000000, -0.0000839700000000 ] - [ 0.0000018500000000, -0.0000000500000000, -0.0002465900000000 ] - [ -0.0000002700000000, 0.0000000000000000, -0.0002466000000000 ] - [ -0.0000002000000000, 0.0000001400000000, -0.0002466100000000 ] - [ -0.0000001000000000, -0.0000000300000000, -0.0002466100000000 ] - [ -0.0000009200000000, 0.0000000200000000, 0.0002468600000000 ] - [ 0.0000009200000000, 0.0000000200000000, 0.0002468800000000 ] - [ 0.0000006300000000, -0.0000002000000000, 0.0002468700000000 ] - [ 0.0000006200000000, 0.0000001100000000, 0.0002468800000000 ] - [ -0.0000011600000000, -0.0000000500000000, -0.0000444700000000 ] - [ -0.0000011500000000, -0.0000000300000000, -0.0000444300000000 ] - [ -0.0000005000000000, -0.0000004100000000, -0.0000444100000000 ] - [ -0.0000005500000000, 0.0000002800000000, -0.0000444200000000 ] - [ 0.0059654500000000, 0.0033361400000000, 0.0088550200000000 ] - [ 0.0057137600000000, -0.0031470000000000, -0.0070221600000000 ] - [ -0.0009403700000000, 0.0000033300000000, 0.0007779600000000 ] - [ 0.0002260300000000, 0.0000263300000000, 0.0007539200000000 ] - [ -0.0001733900000000, 0.0000002000000000, -0.0005333700000000 ] - [ 0.0002012900000000, 0.0000000900000000, -0.0005337100000000 ] - [ -0.0000042300000000, -0.0000974200000000, -0.0005308400000000 ] - [ -0.0000044700000000, 0.0000977600000000, -0.0005361900000000 ] - [ -0.0000128400000000, -0.0000896600000000, 0.0008036900000000 ] - [ -0.0000121700000000, 0.0000900600000000, 0.0006812100000000 ] - [ -0.0001131800000000, -0.0000000200000000, 0.0007422100000000 ] - [ 0.0001431300000000, 0.0000003900000000, 0.0007425000000000 ] - [ 0.0002131100000000, -0.0000261700000000, -0.0007186700000000 ] - [ -0.0009384200000000, -0.0000033400000000, -0.0007429400000000 ] - [ 0.0058744200000000, -0.0032910900000000, -0.0088030100000000 ] - [ 0.0056226500000000, 0.0031018200000000, 0.0070407400000000 ] - [ -0.0000273000000000, -0.0000004700000000, 0.0005783700000000 ] - [ -0.0000821000000000, -0.0000002900000000, 0.0005781600000000 ] - [ 0.0000187600000000, 0.0000582500000000, 0.0008310200000000 ] - [ 0.0000190200000000, -0.0000583000000000, 0.0003259100000000 ] - [ 0.0000024300000000, 0.0000003100000000, -0.0005669700000000 ] - [ -0.0000037300000000, 0.0000003200000000, -0.0005669400000000 ] - [ -0.0000004200000000, 0.0000019600000000, -0.0005697800000000 ] - [ -0.0000004100000000, -0.0000013400000000, -0.0005640900000000 ] - [ 0.0000024900000000, -0.0000001700000000, 0.0005505600000000 ] - [ -0.0000022600000000, -0.0000001900000000, 0.0005505400000000 ] - [ -0.0000002700000000, 0.0000009500000000, 0.0005396700000000 ] - [ -0.0000003000000000, -0.0000013300000000, 0.0005614800000000 ] - [ -0.0000247500000000, -0.0000004800000000, -0.0007780500000000 ] - [ -0.0002390600000000, -0.0000004200000000, -0.0007762900000000 ] - [ -0.0000050200000000, -0.0000114600000000, -0.0008232800000000 ] - [ -0.0000048600000000, 0.0000114000000000, -0.0007313600000000 ] - [ 0.0000001600000000, 0.0000002200000000, 0.0007978400000000 ] - [ -0.0000012600000000, 0.0000002000000000, 0.0007978800000000 ] - [ -0.0000001700000000, 0.0000004100000000, 0.0007972700000000 ] - [ -0.0000001700000000, 0.0000000300000000, 0.0007984300000000 ] - [ 0.0000000600000000, 0.0000001900000000, -0.0005501500000000 ] - [ -0.0000009500000000, 0.0000001800000000, -0.0005501600000000 ] - [ -0.0000009200000000, 0.0000002000000000, -0.0005500800000000 ] - [ -0.0000009500000000, 0.0000001900000000, -0.0005502600000000 ] - [ -0.0000004700000000, 0.0000001300000000, 0.0007252500000000 ] - [ -0.0000005800000000, 0.0000001400000000, 0.0007252200000000 ] - [ -0.0000007000000000, 0.0000002900000000, 0.0007251400000000 ] - [ -0.0000007100000000, 0.0000000100000000, 0.0007253600000000 ] - [ -0.0000019100000000, -0.0000001900000000, -0.0007203000000000 ] - [ -0.0000001400000000, -0.0000001700000000, -0.0007203300000000 ] - [ 0.0000004000000000, 0.0000001300000000, -0.0007203500000000 ] - [ 0.0000004100000000, -0.0000005000000000, -0.0007203400000000 ] - [ -0.0000002100000000, -0.0000004000000000, 0.0005672600000000 ] - [ -0.0000002000000000, -0.0000002100000000, 0.0005673400000000 ] - [ -0.0000007800000000, -0.0000003000000000, 0.0005673600000000 ] - [ -0.0000000500000000, -0.0000003100000000, 0.0005673200000000 ] - [ -0.0000020000000000, 0.0000003600000000, -0.0005776300000000 ] - [ 0.0000005000000000, 0.0000003500000000, -0.0005776900000000 ] - [ -0.0000008200000000, -0.0000004100000000, -0.0005729600000000 ] - [ -0.0000008400000000, 0.0000011300000000, -0.0005822800000000 ] - [ -0.0000002100000000, -0.0000006000000000, 0.0005316400000000 ] - [ -0.0000002300000000, 0.0000002900000000, 0.0005361300000000 ] - [ -0.0000013100000000, -0.0000001400000000, 0.0005338700000000 ] - [ 0.0000005400000000, -0.0000001500000000, 0.0005338700000000 ] - [ -0.0000017600000000, -0.0000002500000000, -0.0007806900000000 ] - [ -0.0000007600000000, -0.0000002600000000, -0.0007807200000000 ] - [ -0.0000010300000000, -0.0000004200000000, -0.0007806300000000 ] - [ -0.0000010600000000, -0.0000000900000000, -0.0007807300000000 ] - [ -0.0000023200000000, 0.0000002500000000, 0.0007809800000000 ] - [ -0.0000005900000000, 0.0000002600000000, 0.0007809400000000 ] - [ -0.0000000200000000, 0.0000005700000000, 0.0007809300000000 ] - [ -0.0000000300000000, -0.0000000600000000, 0.0007810100000000 ] - [ -0.0000007500000000, 0.0000000700000000, -0.0005312500000000 ] - [ -0.0000007600000000, 0.0000003200000000, -0.0005315900000000 ] - [ -0.0000006400000000, 0.0000001900000000, -0.0005313900000000 ] - [ -0.0000005400000000, 0.0000001900000000, -0.0005314300000000 ] - [ -0.0000000600000000, 0.0000001800000000, 0.0007207700000000 ] - [ -0.0000009000000000, 0.0000001700000000, 0.0007206200000000 ] - [ -0.0000009600000000, 0.0000001400000000, 0.0007206500000000 ] - [ -0.0000009800000000, 0.0000002400000000, 0.0007206500000000 ] - [ 0.0000001200000000, -0.0000003300000000, -0.0007243900000000 ] - [ 0.0000001300000000, 0.0000000600000000, -0.0007255200000000 ] - [ -0.0000009900000000, -0.0000001400000000, -0.0007250000000000 ] - [ 0.0000004800000000, -0.0000001400000000, -0.0007250000000000 ] - [ 0.0000000400000000, -0.0000003600000000, 0.0005972400000000 ] - [ 0.0000007500000000, -0.0000003600000000, 0.0005972500000000 ] - [ 0.0000000400000000, -0.0000003600000000, 0.0005973100000000 ] - [ 0.0000000400000000, -0.0000003500000000, 0.0005971600000000 ] - [ -0.0000003800000000, 0.0000004000000000, -0.0005970000000000 ] - [ -0.0000003800000000, 0.0000003300000000, -0.0005968200000000 ] - [ -0.0000002500000000, 0.0000003400000000, -0.0005968900000000 ] - [ -0.0000004400000000, 0.0000003400000000, -0.0005969000000000 ] - [ -0.0000000300000000, -0.0000001900000000, 0.0005317400000000 ] - [ 0.0000001100000000, -0.0000001900000000, 0.0005318000000000 ] - [ 0.0000000200000000, -0.0000002200000000, 0.0005317800000000 ] - [ -0.0000000200000000, -0.0000001700000000, 0.0005317000000000 ] - [ -0.0000002100000000, -0.0000004200000000, -0.0007975000000000 ] - [ -0.0000001700000000, -0.0000000400000000, -0.0007975700000000 ] - [ -0.0000008500000000, -0.0000002100000000, -0.0007975900000000 ] - [ 0.0000001400000000, -0.0000001800000000, -0.0007975900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0329818200000000 ] - [ 0.0000000000000000, -0.0047186400000000, -0.0094235900000000 ] - [ 0.0040864600000000, 0.0023593200000000, -0.0094235900000000 ] - [ -0.0040864600000000, 0.0023593200000000, -0.0094235900000000 ] - [ 0.0000039900000000, 0.0000023000000000, 0.0001303700000000 ] - [ -0.0000039900000000, 0.0000023000000000, 0.0001303700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001340100000000 ] - [ 0.0000000000000000, -0.0000046100000000, 0.0001303700000000 ] - [ -0.0000618300000000, -0.0000357000000000, 0.0004575400000000 ] - [ 0.0000618300000000, -0.0000357000000000, 0.0004575400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003193300000000 ] - [ 0.0000000000000000, 0.0000713900000000, 0.0004575400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001954900000000 ] - [ 0.0000000000000000, -0.0001931900000000, 0.0003845800000000 ] - [ 0.0001673100000000, 0.0000966000000000, 0.0003845800000000 ] - [ -0.0001673100000000, 0.0000966000000000, 0.0003845800000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0002524500000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0002524500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002518900000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0002524500000000 ] - [ 0.0000000000000000, 0.0000052100000000, 0.0000075800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000042000000000 ] - [ 0.0000045100000000, -0.0000026000000000, 0.0000075800000000 ] - [ -0.0000045100000000, -0.0000026000000000, 0.0000075800000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0002869100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002853400000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0002869100000000 ] - [ 0.0000001500000000, 0.0000000900000000, 0.0002869100000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0002920900000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0002920900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002920200000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0002920900000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0001233600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001227800000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0001233600000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0001233600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000344500000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0000377400000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0000377400000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0000377400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004584400000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0004568200000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0004568200000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0004568200000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0001632500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001617100000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0001632500000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0001632500000000 ] - [ 0.0062621400000000, 0.0036154500000000, 0.0098768000000000 ] - [ -0.0062621400000000, 0.0036154500000000, 0.0098768000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037420100000000 ] - [ 0.0000000000000000, -0.0072309000000000, 0.0098768000000000 ] - [ 0.0000000000000000, 0.0000800700000000, -0.0006291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006783600000000 ] - [ 0.0000693400000000, -0.0000400300000000, -0.0006291300000000 ] - [ -0.0000693400000000, -0.0000400300000000, -0.0006291300000000 ] - [ 0.0000934900000000, 0.0000539800000000, 0.0006282400000000 ] - [ -0.0000934900000000, 0.0000539800000000, 0.0006282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006528100000000 ] - [ 0.0000000000000000, -0.0001079500000000, 0.0006282400000000 ] - [ 0.0000000000000000, -0.0068834000000000, 0.0082509200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022246100000000 ] - [ -0.0059612000000000, 0.0034417000000000, 0.0082509200000000 ] - [ 0.0059612000000000, 0.0034417000000000, 0.0082509200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004668600000000 ] - [ 0.0000000000000000, 0.0000129600000000, 0.0005829400000000 ] - [ -0.0000112300000000, -0.0000064800000000, 0.0005829400000000 ] - [ 0.0000112300000000, -0.0000064800000000, 0.0005829400000000 ] - [ 0.0000000000000000, -0.0000017800000000, -0.0006703500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006730400000000 ] - [ -0.0000015400000000, 0.0000008900000000, -0.0006703500000000 ] - [ 0.0000015400000000, 0.0000008900000000, -0.0006703500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004520400000000 ] - [ 0.0000000000000000, 0.0000004500000000, 0.0004426700000000 ] - [ -0.0000003900000000, -0.0000002300000000, 0.0004426700000000 ] - [ 0.0000003900000000, -0.0000002300000000, 0.0004426700000000 ] - [ 0.0000000000000000, 0.0000020900000000, -0.0007403600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010738000000000 ] - [ 0.0000018100000000, -0.0000010500000000, -0.0007403600000000 ] - [ -0.0000018100000000, -0.0000010500000000, -0.0007403600000000 ] - [ 0.0000000000000000, -0.0000007100000000, 0.0006929100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006926300000000 ] - [ -0.0000006100000000, 0.0000003500000000, 0.0006929100000000 ] - [ 0.0000006100000000, 0.0000003500000000, 0.0006929100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006567000000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0006558300000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0006558300000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0006558300000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0006196200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006198500000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0006196200000000 ] - [ 0.0000001500000000, 0.0000000900000000, 0.0006196200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008275000000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0008251400000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0008251400000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0008251400000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0004627600000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0004627600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004630000000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0004627600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006885800000000 ] - [ 0.0000000000000000, -0.0000007700000000, -0.0006789000000000 ] - [ 0.0000006700000000, 0.0000003900000000, -0.0006789000000000 ] - [ -0.0000006700000000, 0.0000003900000000, -0.0006789000000000 ] - [ -0.0000012300000000, -0.0000007100000000, 0.0004272300000000 ] - [ 0.0000012300000000, -0.0000007100000000, 0.0004272300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004293000000000 ] - [ 0.0000000000000000, 0.0000014200000000, 0.0004272300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008876800000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0008865200000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0008865200000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0008865200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006735600000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0006760100000000 ] - [ 0.0000000400000000, 0.0000000300000000, 0.0006760100000000 ] - [ -0.0000000400000000, 0.0000000300000000, 0.0006760100000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0006370000000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0006370000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006366900000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0006370000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006141500000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0006148800000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0006148800000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0006148800000000 ] - [ 0.0000006300000000, 0.0000003600000000, -0.0008295800000000 ] - [ -0.0000006300000000, 0.0000003600000000, -0.0008295800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008299700000000 ] - [ 0.0000000000000000, -0.0000007200000000, -0.0008295800000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0004927500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004934400000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0004927500000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0004927500000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0007006500000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0007006500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006996700000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0007006500000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0004260600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004269800000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0004260600000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0004260600000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0009025700000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0009025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009023100000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0009025700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0328137500000000 ] - [ 0.0000000000000000, 0.0047186300000000, 0.0092065400000000 ] - [ -0.0040864600000000, -0.0023593200000000, 0.0092065400000000 ] - [ 0.0040864600000000, -0.0023593200000000, 0.0092065400000000 ] - [ -0.0000039100000000, -0.0000022600000000, -0.0002884000000000 ] - [ 0.0000039100000000, -0.0000022600000000, -0.0002884000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002919200000000 ] - [ 0.0000000000000000, 0.0000045100000000, -0.0002884000000000 ] - [ 0.0000639700000000, 0.0000369300000000, -0.0000519700000000 ] - [ -0.0000639700000000, 0.0000369300000000, -0.0000519700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000873500000000 ] - [ 0.0000000000000000, -0.0000738600000000, -0.0000519700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000260900000000 ] - [ 0.0000000000000000, 0.0001956900000000, -0.0001669100000000 ] - [ -0.0001694700000000, -0.0000978500000000, -0.0001669100000000 ] - [ 0.0001694700000000, -0.0000978500000000, -0.0001669100000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0001626400000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0001626400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001620800000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0001626400000000 ] - [ 0.0000000000000000, -0.0000052500000000, -0.0004146700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004112400000000 ] - [ -0.0000045500000000, 0.0000026200000000, -0.0004146700000000 ] - [ 0.0000045500000000, 0.0000026200000000, -0.0004146700000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0001298300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001282500000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0001298300000000 ] - [ -0.0000001100000000, -0.0000000600000000, -0.0001298300000000 ] - [ 0.0000000300000000, 0.0000000100000000, -0.0001248400000000 ] - [ -0.0000000300000000, 0.0000000100000000, -0.0001248400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001248100000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0001248400000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0002915600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002910200000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0002915600000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0002915600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004614900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004577100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004577100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004577100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000355500000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0000377300000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0000377300000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0000377300000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0002538200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002522600000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0002538200000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0002538200000000 ] - [ -0.0060610500000000, -0.0034993500000000, -0.0082329100000000 ] - [ 0.0060610500000000, -0.0034993500000000, -0.0082329100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021924300000000 ] - [ 0.0000000000000000, 0.0069987000000000, -0.0082329100000000 ] - [ 0.0000000000000000, -0.0000806500000000, -0.0004370800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003890800000000 ] - [ -0.0000698500000000, 0.0000403300000000, -0.0004370800000000 ] - [ 0.0000698500000000, 0.0000403300000000, -0.0004370800000000 ] - [ -0.0000940400000000, -0.0000542900000000, 0.0008552800000000 ] - [ 0.0000940400000000, -0.0000542900000000, 0.0008552800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008294600000000 ] - [ 0.0000000000000000, 0.0001085900000000, 0.0008552800000000 ] - [ 0.0000000000000000, 0.0071152300000000, -0.0098270100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037066400000000 ] - [ 0.0061619700000000, -0.0035576100000000, -0.0098270100000000 ] - [ -0.0061619700000000, -0.0035576100000000, -0.0098270100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006892400000000 ] - [ 0.0000000000000000, -0.0000124000000000, 0.0005697200000000 ] - [ 0.0000107400000000, 0.0000062000000000, 0.0005697200000000 ] - [ -0.0000107400000000, 0.0000062000000000, 0.0005697200000000 ] - [ 0.0000000000000000, 0.0000017700000000, -0.0004624400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004597500000000 ] - [ 0.0000015300000000, -0.0000008900000000, -0.0004624400000000 ] - [ -0.0000015300000000, -0.0000008900000000, -0.0004624400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006471500000000 ] - [ 0.0000000000000000, -0.0000004900000000, 0.0006566500000000 ] - [ 0.0000004300000000, 0.0000002500000000, 0.0006566500000000 ] - [ -0.0000004300000000, 0.0000002500000000, 0.0006566500000000 ] - [ 0.0000000000000000, -0.0000022900000000, -0.0008145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004763100000000 ] - [ -0.0000019900000000, 0.0000011500000000, -0.0008145900000000 ] - [ 0.0000019900000000, 0.0000011500000000, -0.0008145900000000 ] - [ 0.0000000000000000, 0.0000006900000000, 0.0009012500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009015800000000 ] - [ 0.0000005900000000, -0.0000003400000000, 0.0009012500000000 ] - [ -0.0000005900000000, -0.0000003400000000, 0.0009012500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004432300000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0004441400000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0004441400000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0004441400000000 ] - [ 0.0000000000000000, 0.0000001900000000, 0.0008293500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008291100000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0008293500000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0008293500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006131200000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0006152400000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0006152400000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0006152400000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0006694500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0006694500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006692400000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0006694500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004652800000000 ] - [ 0.0000000000000000, 0.0000007500000000, -0.0004753500000000 ] - [ -0.0000006500000000, -0.0000003800000000, -0.0004753500000000 ] - [ 0.0000006500000000, -0.0000003800000000, -0.0004753500000000 ] - [ 0.0000012600000000, 0.0000007200000000, 0.0006388400000000 ] - [ -0.0000012600000000, 0.0000007200000000, 0.0006388400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006368200000000 ] - [ 0.0000000000000000, -0.0000014500000000, 0.0006388400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006731800000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0006745600000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0006745600000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0006745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008870200000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0008844800000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0008844800000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0008844800000000 ] - [ -0.0000001700000000, -0.0000001000000000, -0.0004255100000000 ] - [ 0.0000001700000000, -0.0000001000000000, -0.0004255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004257500000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0004255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008255600000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0008248400000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0008248400000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0008248400000000 ] - [ -0.0000005900000000, -0.0000003400000000, -0.0006199300000000 ] - [ 0.0000005900000000, -0.0000003400000000, -0.0006199300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006196000000000 ] - [ 0.0000000000000000, 0.0000006800000000, -0.0006199300000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0006993700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006987300000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0006993700000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0006993700000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0004921600000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0004921600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004930200000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0004921600000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0006358200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006349100000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0006358200000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0006358200000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0006922500000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0006922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006924900000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0006922500000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000006700000000, -0.0000050600000000, -0.0001060400000000 ] - [ -0.0000007700000000, 0.0000051400000000, -0.0001139100000000 ] - [ -0.0000098400000000, 0.0000001000000000, -0.0001099800000000 ] - [ 0.0000080700000000, 0.0000000800000000, -0.0001099500000000 ] - [ -0.0337213200000000, 0.0000001000000000, -0.0000551700000000 ] - [ 0.0114442700000000, 0.0000010500000000, -0.0000786700000000 ] - [ 0.0003818100000000, -0.0063864700000000, -0.0041603300000000 ] - [ 0.0003816300000000, 0.0063857000000000, 0.0040040800000000 ] - [ -0.0000848800000000, 0.0000004100000000, 0.0002026200000000 ] - [ 0.0000834700000000, -0.0000005100000000, 0.0002018600000000 ] - [ 0.0000473800000000, -0.0000212100000000, 0.0000336100000000 ] - [ 0.0000458300000000, 0.0000213000000000, 0.0003713700000000 ] - [ -0.0000005300000000, 0.0000002800000000, 0.0001096300000000 ] - [ -0.0000006100000000, -0.0000004700000000, 0.0001095600000000 ] - [ -0.0000011200000000, -0.0000000200000000, 0.0001096000000000 ] - [ -0.0000012100000000, -0.0000000500000000, 0.0001096000000000 ] - [ 0.0000018200000000, 0.0000000400000000, 0.0000444300000000 ] - [ -0.0000004100000000, 0.0000000500000000, 0.0000444500000000 ] - [ -0.0000002200000000, 0.0000001500000000, 0.0000444300000000 ] - [ -0.0000002600000000, -0.0000000100000000, 0.0000444700000000 ] - [ -0.0000006300000000, -0.0000002700000000, -0.0002028600000000 ] - [ -0.0000006600000000, 0.0000002400000000, -0.0002025500000000 ] - [ -0.0000010900000000, 0.0000000300000000, -0.0002026900000000 ] - [ -0.0000005900000000, 0.0000000000000000, -0.0002026900000000 ] - [ -0.0000001400000000, 0.0000000100000000, 0.0000777600000000 ] - [ -0.0000002100000000, -0.0000003000000000, 0.0000778100000000 ] - [ 0.0000001000000000, -0.0000000500000000, 0.0000778100000000 ] - [ 0.0000003100000000, -0.0000001100000000, 0.0000777800000000 ] - [ -0.0000008800000000, 0.0000000100000000, 0.0000842000000000 ] - [ 0.0000008900000000, 0.0000000100000000, 0.0000842500000000 ] - [ 0.0000005700000000, -0.0000001900000000, 0.0000842100000000 ] - [ 0.0000005400000000, 0.0000001500000000, 0.0000841800000000 ] - [ -0.0000004900000000, -0.0000026300000000, -0.0000799400000000 ] - [ -0.0000004500000000, 0.0000026200000000, -0.0000889200000000 ] - [ -0.0000049700000000, -0.0000000100000000, -0.0000844300000000 ] - [ 0.0000035600000000, 0.0000000200000000, -0.0000844800000000 ] - [ -0.0000007000000000, 0.0000002200000000, -0.0002467300000000 ] - [ -0.0000006300000000, -0.0000002700000000, -0.0002470000000000 ] - [ -0.0000006300000000, 0.0000000500000000, -0.0002469100000000 ] - [ -0.0000010900000000, 0.0000000700000000, -0.0002468600000000 ] - [ -0.0000006600000000, 0.0000002400000000, 0.0002464100000000 ] - [ -0.0000005700000000, -0.0000002200000000, 0.0002466500000000 ] - [ -0.0000015000000000, -0.0000000500000000, 0.0002465000000000 ] - [ -0.0000010300000000, -0.0000000400000000, 0.0002465300000000 ] - [ 0.0000248800000000, -0.0001749800000000, 0.0000179800000000 ] - [ 0.0000265500000000, 0.0001747100000000, -0.0001077200000000 ] - [ -0.0002770400000000, -0.0000005100000000, -0.0000443600000000 ] - [ 0.0002579800000000, 0.0000004900000000, -0.0000450100000000 ] - [ -0.0000042100000000, 0.0000002500000000, 0.0007771100000000 ] - [ 0.0000038700000000, 0.0000002500000000, 0.0007772500000000 ] - [ -0.0000004200000000, -0.0000022300000000, 0.0007748500000000 ] - [ -0.0000004300000000, 0.0000027500000000, 0.0007795500000000 ] - [ -0.0000052700000000, -0.0000110600000000, -0.0004884000000000 ] - [ -0.0000053900000000, 0.0000109400000000, -0.0005806100000000 ] - [ -0.0000243900000000, 0.0000003400000000, -0.0005351800000000 ] - [ -0.0002367300000000, 0.0000003300000000, -0.0005334900000000 ] - [ -0.0000002800000000, 0.0000001900000000, 0.0007423500000000 ] - [ -0.0000015200000000, 0.0000001800000000, 0.0007423900000000 ] - [ -0.0000018000000000, 0.0000000300000000, 0.0007423600000000 ] - [ -0.0000018000000000, 0.0000003500000000, 0.0007422800000000 ] - [ 0.0000005000000000, 0.0000003800000000, -0.0007532700000000 ] - [ 0.0000001100000000, -0.0000006800000000, -0.0007318300000000 ] - [ 0.0000012300000000, 0.0000001000000000, -0.0007424600000000 ] - [ -0.0000026300000000, -0.0000001800000000, -0.0007426200000000 ] - [ -0.0000121800000000, -0.0000888500000000, 0.0005165000000000 ] - [ -0.0000128400000000, 0.0000881500000000, 0.0006393300000000 ] - [ -0.0001114800000000, -0.0000001600000000, 0.0005777900000000 ] - [ 0.0001407800000000, -0.0000005600000000, 0.0005779800000000 ] - [ 0.0057110000000000, -0.0031422700000000, 0.0072062300000000 ] - [ 0.0059622900000000, 0.0033312500000000, -0.0086190800000000 ] - [ 0.0002314000000000, 0.0000263900000000, -0.0005441000000000 ] - [ -0.0009388600000000, 0.0000033800000000, -0.0005681300000000 ] - [ 0.0057053000000000, 0.0031408300000000, -0.0072284700000000 ] - [ 0.0059567500000000, -0.0033295400000000, 0.0086074900000000 ] - [ -0.0009393400000000, -0.0000032600000000, 0.0005512300000000 ] - [ 0.0002285100000000, -0.0000262400000000, 0.0005271700000000 ] - [ 0.0000001000000000, -0.0000002800000000, -0.0007775400000000 ] - [ 0.0000001100000000, -0.0000002600000000, -0.0007774200000000 ] - [ 0.0000001100000000, -0.0000002500000000, -0.0007775100000000 ] - [ 0.0000012500000000, -0.0000002300000000, -0.0007774500000000 ] - [ -0.0000004000000000, 0.0000001900000000, 0.0007977200000000 ] - [ -0.0000003700000000, 0.0000002500000000, 0.0007978400000000 ] - [ -0.0000004300000000, 0.0000002100000000, 0.0007977900000000 ] - [ -0.0000002600000000, 0.0000002200000000, 0.0007977800000000 ] - [ -0.0000003900000000, 0.0000002000000000, -0.0005506800000000 ] - [ -0.0000003700000000, 0.0000001700000000, -0.0005507400000000 ] - [ 0.0000003600000000, 0.0000001900000000, -0.0005507300000000 ] - [ -0.0000004000000000, 0.0000002000000000, -0.0005507600000000 ] - [ -0.0000003200000000, 0.0000001300000000, 0.0007251300000000 ] - [ -0.0000003600000000, 0.0000001500000000, 0.0007252100000000 ] - [ -0.0000003400000000, 0.0000001600000000, 0.0007252500000000 ] - [ 0.0000003900000000, 0.0000001400000000, 0.0007251600000000 ] - [ -0.0000000300000000, -0.0000001500000000, -0.0007208300000000 ] - [ -0.0000000100000000, -0.0000002100000000, -0.0007209500000000 ] - [ 0.0000000900000000, -0.0000001800000000, -0.0007209400000000 ] - [ -0.0000000800000000, -0.0000001800000000, -0.0007209300000000 ] - [ 0.0000000300000000, -0.0000003100000000, 0.0005671600000000 ] - [ 0.0000003300000000, -0.0000003000000000, 0.0005672500000000 ] - [ -0.0000003000000000, -0.0000006700000000, 0.0005673000000000 ] - [ -0.0000003000000000, 0.0000000400000000, 0.0005671900000000 ] - [ -0.0000007700000000, 0.0000007000000000, -0.0005786300000000 ] - [ -0.0000007200000000, 0.0000000000000000, -0.0005777800000000 ] - [ 0.0000000000000000, 0.0000003500000000, -0.0005781900000000 ] - [ -0.0000013600000000, 0.0000003700000000, -0.0005782000000000 ] - [ -0.0000003700000000, -0.0000001500000000, 0.0005338100000000 ] - [ -0.0000001400000000, -0.0000001500000000, 0.0005338100000000 ] - [ 0.0000000400000000, -0.0000000500000000, 0.0005337700000000 ] - [ 0.0000000300000000, -0.0000002600000000, 0.0005337700000000 ] - [ -0.0000003800000000, -0.0000003800000000, -0.0007814200000000 ] - [ -0.0000003800000000, -0.0000001300000000, -0.0007811200000000 ] - [ -0.0000002300000000, -0.0000002500000000, -0.0007812600000000 ] - [ -0.0000001700000000, -0.0000002600000000, -0.0007812600000000 ] - [ -0.0000001800000000, 0.0000012700000000, 0.0007762100000000 ] - [ -0.0000006100000000, -0.0000008300000000, 0.0007854200000000 ] - [ -0.0000011600000000, 0.0000002500000000, 0.0007808700000000 ] - [ -0.0000022200000000, -0.0000000400000000, 0.0007808000000000 ] - [ -0.0000002500000000, 0.0000002000000000, -0.0005320000000000 ] - [ -0.0000015100000000, 0.0000001900000000, -0.0005319900000000 ] - [ -0.0000017900000000, 0.0000000300000000, -0.0005318800000000 ] - [ -0.0000017800000000, 0.0000003600000000, -0.0005320700000000 ] - [ 0.0000037400000000, 0.0000308100000000, 0.0006854500000000 ] - [ 0.0000035700000000, -0.0000301800000000, 0.0007565900000000 ] - [ -0.0001459200000000, 0.0000001600000000, 0.0007199300000000 ] - [ -0.0000491700000000, 0.0000000500000000, 0.0007217200000000 ] - [ 0.0000032000000000, -0.0000001300000000, -0.0007255500000000 ] - [ -0.0000027300000000, -0.0000001500000000, -0.0007255400000000 ] - [ -0.0000000400000000, 0.0000014100000000, -0.0007259400000000 ] - [ -0.0000000500000000, -0.0000016900000000, -0.0007252400000000 ] - [ 0.0000000500000000, -0.0000003900000000, 0.0005974900000000 ] - [ 0.0000000200000000, -0.0000003300000000, 0.0005967900000000 ] - [ -0.0000000400000000, -0.0000003500000000, 0.0005971600000000 ] - [ 0.0000013000000000, -0.0000003500000000, 0.0005971100000000 ] - [ -0.0000006900000000, 0.0000003600000000, -0.0005974900000000 ] - [ -0.0000004200000000, 0.0000003600000000, -0.0005974300000000 ] - [ -0.0000002500000000, 0.0000004400000000, -0.0005974300000000 ] - [ -0.0000002700000000, 0.0000002400000000, -0.0005974500000000 ] - [ -0.0000003600000000, -0.0000005400000000, 0.0005320700000000 ] - [ -0.0000003800000000, 0.0000001600000000, 0.0005312700000000 ] - [ -0.0000009800000000, -0.0000001900000000, 0.0005316600000000 ] - [ 0.0000003600000000, -0.0000002000000000, 0.0005316700000000 ] - [ 0.0000057600000000, -0.0000001300000000, -0.0007979300000000 ] - [ 0.0000057700000000, -0.0000004100000000, -0.0007984200000000 ] - [ -0.0000212000000000, -0.0000159000000000, -0.0006394200000000 ] - [ -0.0000217400000000, 0.0000155600000000, -0.0009568200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000027800000000, -0.0000016100000000, 0.0001003400000000 ] - [ 0.0000027800000000, -0.0000016100000000, 0.0001003400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001038900000000 ] - [ 0.0000000000000000, 0.0000032200000000, 0.0001003400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0329685900000000 ] - [ 0.0000000000000000, 0.0047142600000000, -0.0094044700000000 ] - [ -0.0040826700000000, -0.0023571300000000, -0.0094044700000000 ] - [ 0.0040826700000000, -0.0023571300000000, -0.0094044700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002704000000000 ] - [ 0.0000000000000000, 0.0001938400000000, 0.0004814000000000 ] - [ -0.0001678700000000, -0.0000969200000000, 0.0004814000000000 ] - [ 0.0001678700000000, -0.0000969200000000, 0.0004814000000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0003184600000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0003184600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003168700000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0003184600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002567800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002553600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002553600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002553600000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0000068500000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0000068500000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0000068500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000062200000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0002903300000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0002903300000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0002903300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002903600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002930300000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0002941000000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0002941000000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0002941000000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0001275700000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0001275700000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0001275700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001241600000000 ] - [ 0.0000001400000000, 0.0000000800000000, -0.0000373500000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0000373500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000380000000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0000373500000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0004589700000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0004589700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004574900000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0004589700000000 ] - [ -0.0002380600000000, 0.0001374500000000, 0.0002108400000000 ] - [ 0.0002380600000000, 0.0001374500000000, 0.0002108400000000 ] - [ 0.0000000000000000, -0.0002748900000000, 0.0002108400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000710100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006686500000000 ] - [ 0.0000000000000000, 0.0000020500000000, 0.0006719500000000 ] - [ -0.0000017700000000, -0.0000010200000000, 0.0006719500000000 ] - [ 0.0000017700000000, -0.0000010200000000, 0.0006719500000000 ] - [ -0.0000018000000000, 0.0000010400000000, -0.0004960500000000 ] - [ 0.0000018000000000, 0.0000010400000000, -0.0004960500000000 ] - [ 0.0000000000000000, -0.0000020800000000, -0.0004960500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008290000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006368600000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0006354400000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0006354400000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0006354400000000 ] - [ 0.0000005300000000, -0.0000003100000000, -0.0008489700000000 ] - [ -0.0000005300000000, -0.0000003100000000, -0.0008489700000000 ] - [ 0.0000000000000000, 0.0000006100000000, -0.0008489700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008388000000000 ] - [ -0.0000933500000000, -0.0000538900000000, 0.0004636500000000 ] - [ 0.0000933500000000, -0.0000538900000000, 0.0004636500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004882100000000 ] - [ 0.0000000000000000, 0.0001077900000000, 0.0004636500000000 ] - [ 0.0060465400000000, -0.0034909700000000, 0.0084368400000000 ] - [ -0.0060465400000000, -0.0034909700000000, 0.0084368400000000 ] - [ 0.0000000000000000, 0.0069819500000000, 0.0084368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024318400000000 ] - [ -0.0062422400000000, -0.0036039600000000, 0.0096472100000000 ] - [ 0.0062422400000000, -0.0036039600000000, 0.0096472100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035359900000000 ] - [ 0.0000000000000000, 0.0072079200000000, 0.0096472100000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0008810800000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0008810800000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0008810800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008796500000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0006920100000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0006920100000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0006920100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006928600000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0006549300000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0006549300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006542800000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0006549300000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0006192100000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0006192100000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0006192100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006198600000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0008246000000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0008246000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008236900000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0008246000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004624300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004618800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004618800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004618800000000 ] - [ -0.0000004500000000, -0.0000002600000000, -0.0006806900000000 ] - [ 0.0000004500000000, -0.0000002600000000, -0.0006806900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006800600000000 ] - [ 0.0000000000000000, 0.0000005200000000, -0.0006806900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004261100000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0004279600000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0004279600000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0004279600000000 ] - [ -0.0000001100000000, -0.0000000600000000, -0.0008854100000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0008854100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008851400000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0008854100000000 ] - [ 0.0000016800000000, 0.0000009700000000, 0.0006747600000000 ] - [ -0.0000016800000000, 0.0000009700000000, 0.0006747600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006752800000000 ] - [ 0.0000000000000000, -0.0000019300000000, 0.0006747600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006360000000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0006370600000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0006370600000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0006370600000000 ] - [ 0.0000134100000000, 0.0000077400000000, 0.0007616300000000 ] - [ -0.0000134100000000, 0.0000077400000000, 0.0007616300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004166800000000 ] - [ 0.0000000000000000, -0.0000154800000000, 0.0007616300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008327500000000 ] - [ 0.0000000000000000, -0.0000018400000000, -0.0008282200000000 ] - [ 0.0000015900000000, 0.0000009200000000, -0.0008282200000000 ] - [ -0.0000015900000000, 0.0000009200000000, -0.0008282200000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0004919400000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0004919400000000 ] - [ 0.0000000000000000, 0.0000001900000000, 0.0004919400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004936100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007010400000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0006993500000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0006993500000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0006993500000000 ] - [ 0.0000004400000000, -0.0000002500000000, 0.0004252700000000 ] - [ -0.0000004400000000, -0.0000002500000000, 0.0004252700000000 ] - [ 0.0000000000000000, 0.0000005100000000, 0.0004252700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004259200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007811100000000 ] - [ 0.0000000000000000, -0.0000572700000000, -0.0009479100000000 ] - [ 0.0000496000000000, 0.0000286400000000, -0.0009479100000000 ] - [ -0.0000496000000000, 0.0000286400000000, -0.0009479100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000027700000000, 0.0000016000000000, -0.0003182200000000 ] - [ -0.0000027700000000, 0.0000016000000000, -0.0003182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003217600000000 ] - [ 0.0000000000000000, -0.0000032000000000, -0.0003182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0327468400000000 ] - [ 0.0000000000000000, -0.0047139300000000, 0.0092454500000000 ] - [ 0.0040823800000000, 0.0023569600000000, 0.0092454500000000 ] - [ -0.0040823800000000, 0.0023569600000000, 0.0092454500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001360300000000 ] - [ 0.0000000000000000, -0.0001961700000000, -0.0000745100000000 ] - [ 0.0001698900000000, 0.0000980900000000, -0.0000745100000000 ] - [ -0.0001698900000000, 0.0000980900000000, -0.0000745100000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0000992900000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0000992900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000976900000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0000992900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001659400000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0001645500000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0001645500000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0001645500000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0004128500000000 ] - [ -0.0000002000000000, -0.0000001200000000, -0.0004128500000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0004128500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004122200000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0001323500000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0001323500000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0001323500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001324400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001259200000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0001258500000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0001258500000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0001258500000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0002947200000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0002947200000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0002947200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002913000000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0004571000000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0004571000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004565000000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0004571000000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0000365000000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0000365000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000379700000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0000365000000000 ] - [ 0.0002363300000000, -0.0001364400000000, -0.0002997400000000 ] - [ -0.0002363300000000, -0.0001364400000000, -0.0002997400000000 ] - [ 0.0000000000000000, 0.0002728900000000, -0.0002997400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001620600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008841400000000 ] - [ 0.0000000000000000, -0.0000020500000000, 0.0008811800000000 ] - [ 0.0000017700000000, 0.0000010200000000, 0.0008811800000000 ] - [ -0.0000017700000000, 0.0000010200000000, 0.0008811800000000 ] - [ 0.0000021000000000, -0.0000012100000000, -0.0005709000000000 ] - [ -0.0000021000000000, -0.0000012100000000, -0.0005709000000000 ] - [ 0.0000000000000000, 0.0000024200000000, -0.0005709000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002333200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008466300000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0008478900000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0008478900000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0008478900000000 ] - [ -0.0000005600000000, 0.0000003200000000, -0.0006335400000000 ] - [ 0.0000005600000000, 0.0000003200000000, -0.0006335400000000 ] - [ 0.0000000000000000, -0.0000006500000000, -0.0006335400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006437800000000 ] - [ 0.0000938000000000, 0.0000541600000000, 0.0006905100000000 ] - [ -0.0000938000000000, 0.0000541600000000, 0.0006905100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006647400000000 ] - [ 0.0000000000000000, -0.0001083100000000, 0.0006905100000000 ] - [ -0.0062474100000000, 0.0036069400000000, -0.0096594300000000 ] - [ 0.0062474100000000, 0.0036069400000000, -0.0096594300000000 ] - [ 0.0000000000000000, -0.0072138900000000, -0.0096594300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035600700000000 ] - [ 0.0060415100000000, 0.0034880700000000, -0.0084546600000000 ] - [ -0.0060415100000000, 0.0034880700000000, -0.0084546600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024378400000000 ] - [ 0.0000000000000000, -0.0069761400000000, -0.0084546600000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0006713500000000 ] - [ -0.0000001100000000, -0.0000000600000000, -0.0006713500000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0006713500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006727700000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0009023900000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0009023900000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0009023900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009015000000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0004438800000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0004438800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004445100000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0004438800000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0008299000000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0008299000000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0008299000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008292100000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0006144900000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0006144900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006153900000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0006144900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006701100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006707900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006707900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006707900000000 ] - [ 0.0000004100000000, 0.0000002400000000, -0.0004724300000000 ] - [ -0.0000004100000000, 0.0000002400000000, -0.0004724300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004730500000000 ] - [ 0.0000000000000000, -0.0000004700000000, -0.0004724300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006400900000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0006384100000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0006384100000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0006384100000000 ] - [ 0.0000001400000000, 0.0000000800000000, -0.0006744700000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0006744700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006746800000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0006744700000000 ] - [ -0.0000011600000000, -0.0000006700000000, 0.0008857000000000 ] - [ 0.0000011600000000, -0.0000006700000000, 0.0008857000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008855200000000 ] - [ 0.0000000000000000, 0.0000013400000000, 0.0008857000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004255800000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0004242000000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0004242000000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0004242000000000 ] - [ -0.0000131700000000, -0.0000076000000000, 0.0006795400000000 ] - [ 0.0000131700000000, -0.0000076000000000, 0.0006795400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010197800000000 ] - [ 0.0000000000000000, 0.0000152000000000, 0.0006795400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006153500000000 ] - [ 0.0000000000000000, 0.0000018500000000, -0.0006200300000000 ] - [ -0.0000016000000000, -0.0000009300000000, -0.0006200300000000 ] - [ 0.0000016000000000, -0.0000009300000000, -0.0006200300000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0007005200000000 ] - [ 0.0000001500000000, 0.0000000900000000, 0.0007005200000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0007005200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006988600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004904500000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0004922500000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0004922500000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0004922500000000 ] - [ -0.0000004400000000, 0.0000002500000000, 0.0006368600000000 ] - [ 0.0000004400000000, 0.0000002500000000, 0.0006368600000000 ] - [ 0.0000000000000000, -0.0000005100000000, 0.0006368600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006363300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008118700000000 ] - [ 0.0000000000000000, 0.0000564000000000, -0.0006458900000000 ] - [ -0.0000488400000000, -0.0000282000000000, -0.0006458900000000 ] - [ 0.0000488400000000, -0.0000282000000000, -0.0006458900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0057091000000000, 0.0031420700000000, 0.0059139700000000 ] - [ 0.0059710000000000, -0.0033415200000000, -0.0064107400000000 ] - [ -0.0009406700000000, -0.0000060700000000, -0.0001047500000000 ] - [ 0.0002261400000000, -0.0000131200000000, -0.0001015000000000 ] - [ -0.0000030800000000, 0.0000001000000000, -0.0000783700000000 ] - [ 0.0000034000000000, 0.0000001200000000, -0.0000783900000000 ] - [ -0.0000000700000000, -0.0000018700000000, -0.0000801500000000 ] - [ -0.0000000100000000, 0.0000021300000000, -0.0000765800000000 ] - [ 0.0000063700000000, 0.0000001400000000, 0.0002023100000000 ] - [ 0.0000060400000000, -0.0000001200000000, 0.0002020500000000 ] - [ -0.0000209300000000, -0.0000157800000000, 0.0002514900000000 ] - [ -0.0000213600000000, 0.0000155900000000, 0.0001531100000000 ] - [ -0.0000045100000000, 0.0000112600000000, 0.0001081700000000 ] - [ -0.0000056400000000, -0.0000113900000000, 0.0001120000000000 ] - [ -0.0002397200000000, 0.0000000300000000, 0.0001095000000000 ] - [ -0.0000246800000000, -0.0000003700000000, 0.0001104700000000 ] - [ -0.0000009400000000, 0.0000000600000000, 0.0000443400000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0000443500000000 ] - [ 0.0000002900000000, 0.0000001600000000, 0.0000443400000000 ] - [ 0.0000002800000000, -0.0000000200000000, 0.0000443500000000 ] - [ 0.0000009000000000, -0.0000011100000000, -0.0002042800000000 ] - [ 0.0000004400000000, 0.0000011500000000, -0.0002013500000000 ] - [ -0.0000012900000000, 0.0000003300000000, -0.0002027300000000 ] - [ 0.0000000900000000, 0.0000000000000000, -0.0002028700000000 ] - [ -0.0000000400000000, -0.0000000700000000, 0.0000778700000000 ] - [ -0.0000001300000000, -0.0000002100000000, 0.0000775700000000 ] - [ 0.0000000300000000, -0.0000000400000000, 0.0000777500000000 ] - [ 0.0000006100000000, -0.0000001200000000, 0.0000777100000000 ] - [ -0.0000006600000000, 0.0000000200000000, 0.0000841200000000 ] - [ -0.0000003600000000, 0.0000000100000000, 0.0000841100000000 ] - [ -0.0000006300000000, -0.0000001700000000, 0.0000840300000000 ] - [ -0.0000006600000000, 0.0000001200000000, 0.0000840800000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0000846400000000 ] - [ 0.0000001100000000, 0.0000000000000000, -0.0000844400000000 ] - [ 0.0000000900000000, -0.0000000100000000, -0.0000845300000000 ] - [ -0.0000003700000000, 0.0000000400000000, -0.0000845800000000 ] - [ 0.0000000200000000, 0.0000000500000000, -0.0002469700000000 ] - [ 0.0000001000000000, -0.0000001000000000, -0.0002471100000000 ] - [ 0.0000001700000000, 0.0000000400000000, -0.0002470800000000 ] - [ -0.0000000800000000, 0.0000000700000000, -0.0002470400000000 ] - [ -0.0000002100000000, -0.0000000400000000, 0.0002464500000000 ] - [ -0.0000001500000000, 0.0000000600000000, 0.0002464800000000 ] - [ 0.0000001500000000, -0.0000000500000000, 0.0002464400000000 ] - [ -0.0000001100000000, -0.0000000400000000, 0.0002464600000000 ] - [ 0.0000001300000000, 0.0000001300000000, -0.0000448200000000 ] - [ 0.0000000800000000, -0.0000002000000000, -0.0000449400000000 ] - [ 0.0000004600000000, -0.0000000500000000, -0.0000448400000000 ] - [ -0.0000000600000000, -0.0000000900000000, -0.0000448500000000 ] - [ -0.0273650900000000, 0.0001859100000000, 0.0010486600000000 ] - [ 0.0106452700000000, 0.0000054900000000, 0.0007814900000000 ] - [ 0.0019914900000000, -0.0050048600000000, 0.0008971200000000 ] - [ 0.0019814700000000, 0.0049929100000000, 0.0006570300000000 ] - [ 0.0000079400000000, -0.0000292600000000, -0.0005660500000000 ] - [ 0.0000081400000000, 0.0000294200000000, -0.0005021500000000 ] - [ -0.0000427700000000, 0.0000001700000000, -0.0005340100000000 ] - [ 0.0000274400000000, 0.0000002400000000, -0.0005340900000000 ] - [ 0.0000312600000000, 0.0000000400000000, 0.0007427100000000 ] - [ 0.0000259100000000, -0.0000003200000000, 0.0007427700000000 ] - [ -0.0000500400000000, -0.0000433100000000, 0.0007001400000000 ] - [ -0.0000504900000000, 0.0000446600000000, 0.0007860800000000 ] - [ 0.0018075500000000, -0.0022085400000000, 0.0027454100000000 ] - [ 0.0018026400000000, 0.0022307700000000, -0.0042573100000000 ] - [ -0.0020393800000000, 0.0000056000000000, -0.0007369600000000 ] - [ -0.0007381600000000, 0.0000048400000000, -0.0007411500000000 ] - [ -0.0000153900000000, -0.0000051300000000, 0.0005659100000000 ] - [ -0.0000153700000000, 0.0000046400000000, 0.0005908400000000 ] - [ 0.0001246400000000, -0.0000001600000000, 0.0005787800000000 ] - [ -0.0000069200000000, -0.0000002800000000, 0.0005780200000000 ] - [ -0.0000001000000000, 0.0000012700000000, -0.0005680100000000 ] - [ -0.0000000900000000, -0.0000006500000000, -0.0005669400000000 ] - [ 0.0000015700000000, 0.0000003100000000, -0.0005674600000000 ] - [ -0.0000018500000000, 0.0000003100000000, -0.0005674500000000 ] - [ -0.0000001100000000, -0.0000005900000000, 0.0005469100000000 ] - [ -0.0000001100000000, 0.0000002400000000, 0.0005548900000000 ] - [ -0.0000000800000000, -0.0000001900000000, 0.0005509100000000 ] - [ 0.0000006000000000, -0.0000001900000000, 0.0005509300000000 ] - [ 0.0006113300000000, -0.0003517800000000, -0.0013742600000000 ] - [ 0.0006174800000000, 0.0003569300000000, -0.0001668800000000 ] - [ 0.0000006800000000, 0.0000000400000000, -0.0007781400000000 ] - [ -0.0000148200000000, -0.0000000500000000, -0.0007784000000000 ] - [ -0.0000004000000000, 0.0000001300000000, 0.0007981000000000 ] - [ -0.0000003900000000, 0.0000002900000000, 0.0007983400000000 ] - [ -0.0000005300000000, 0.0000002100000000, 0.0007982200000000 ] - [ -0.0000001900000000, 0.0000002200000000, 0.0007982300000000 ] - [ -0.0000002700000000, 0.0000001300000000, -0.0005508700000000 ] - [ -0.0000002500000000, 0.0000002500000000, -0.0005505000000000 ] - [ -0.0000002600000000, 0.0000001900000000, -0.0005507100000000 ] - [ -0.0000001500000000, 0.0000002000000000, -0.0005507300000000 ] - [ -0.0000002400000000, 0.0000001700000000, 0.0007256100000000 ] - [ -0.0000002900000000, 0.0000001000000000, 0.0007256200000000 ] - [ -0.0000002000000000, 0.0000001600000000, 0.0007256900000000 ] - [ 0.0000000600000000, 0.0000001400000000, 0.0007255800000000 ] - [ 0.0000004600000000, -0.0000001200000000, -0.0007208100000000 ] - [ 0.0000004500000000, -0.0000002400000000, -0.0007209500000000 ] - [ 0.0000000700000000, -0.0000001900000000, -0.0007209200000000 ] - [ 0.0000003400000000, -0.0000001800000000, -0.0007209100000000 ] - [ 0.0000007000000000, -0.0000003100000000, 0.0005675900000000 ] - [ 0.0000001500000000, -0.0000003000000000, 0.0005676500000000 ] - [ 0.0000000400000000, -0.0000003700000000, 0.0005676800000000 ] - [ 0.0000000400000000, -0.0000002500000000, 0.0005676200000000 ] - [ 0.0000016800000000, 0.0000014300000000, -0.0005771500000000 ] - [ 0.0000017000000000, -0.0000006900000000, -0.0005792000000000 ] - [ -0.0000021600000000, 0.0000003400000000, -0.0005781800000000 ] - [ -0.0000001500000000, 0.0000003700000000, -0.0005781700000000 ] - [ 0.0000023900000000, -0.0000001600000000, 0.0005342500000000 ] - [ -0.0000008500000000, -0.0000001500000000, 0.0005342200000000 ] - [ -0.0000000900000000, 0.0000002900000000, 0.0005341500000000 ] - [ -0.0000000900000000, -0.0000005900000000, 0.0005342200000000 ] - [ 0.0000000100000000, -0.0000005500000000, -0.0007813100000000 ] - [ -0.0000000100000000, 0.0000000500000000, -0.0007812100000000 ] - [ -0.0000001100000000, -0.0000002500000000, -0.0007812300000000 ] - [ 0.0000005000000000, -0.0000002600000000, -0.0007812500000000 ] - [ -0.0000004500000000, 0.0000002800000000, 0.0007813500000000 ] - [ -0.0000004700000000, 0.0000002300000000, 0.0007813200000000 ] - [ -0.0000002400000000, 0.0000002500000000, 0.0007813000000000 ] - [ -0.0000005100000000, 0.0000002600000000, 0.0007813900000000 ] - [ -0.0000010600000000, 0.0000001900000000, -0.0005319600000000 ] - [ -0.0000006400000000, 0.0000001900000000, -0.0005319500000000 ] - [ -0.0000002800000000, 0.0000004100000000, -0.0005319100000000 ] - [ -0.0000002600000000, -0.0000000200000000, -0.0005319700000000 ] - [ -0.0000002600000000, 0.0000002600000000, 0.0007212900000000 ] - [ -0.0000002700000000, 0.0000000900000000, 0.0007208900000000 ] - [ -0.0000004000000000, 0.0000001900000000, 0.0007210300000000 ] - [ -0.0000004000000000, 0.0000001900000000, 0.0007210500000000 ] - [ 0.0000011600000000, -0.0000001300000000, -0.0007255400000000 ] - [ -0.0000000100000000, -0.0000001400000000, -0.0007255300000000 ] - [ -0.0000001800000000, -0.0000002400000000, -0.0007256000000000 ] - [ -0.0000001800000000, -0.0000000400000000, -0.0007255600000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0005975400000000 ] - [ -0.0000000200000000, -0.0000004200000000, 0.0005975900000000 ] - [ 0.0000001000000000, -0.0000003500000000, 0.0005975900000000 ] - [ 0.0000004000000000, -0.0000003500000000, 0.0005975300000000 ] - [ -0.0000009900000000, 0.0000003600000000, -0.0005974600000000 ] - [ -0.0000005900000000, 0.0000003600000000, -0.0005974000000000 ] - [ -0.0000002000000000, 0.0000005700000000, -0.0005973900000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0005974400000000 ] - [ 0.0000000100000000, -0.0000000500000000, 0.0005320300000000 ] - [ -0.0000000300000000, -0.0000003300000000, 0.0005321800000000 ] - [ 0.0000002300000000, -0.0000001900000000, 0.0005320800000000 ] - [ -0.0000002000000000, -0.0000002100000000, 0.0005320700000000 ] - [ -0.0000001200000000, -0.0000002300000000, -0.0007981000000000 ] - [ -0.0000002300000000, -0.0000002300000000, -0.0007980900000000 ] - [ -0.0000000500000000, -0.0000001000000000, -0.0007981300000000 ] - [ -0.0000000500000000, -0.0000003000000000, -0.0007981700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0078155700000000, 0.0045123200000000, 0.0088966800000000 ] - [ -0.0078155700000000, 0.0045123200000000, 0.0088966800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028535200000000 ] - [ 0.0000000000000000, -0.0090246500000000, 0.0088966800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001856100000000 ] - [ 0.0000000000000000, 0.0000026400000000, -0.0001836200000000 ] - [ -0.0000022900000000, -0.0000013200000000, -0.0001836200000000 ] - [ 0.0000022900000000, -0.0000013200000000, -0.0001836200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002197000000000 ] - [ 0.0000000000000000, -0.0001825000000000, 0.0000512100000000 ] - [ 0.0001580500000000, 0.0000912500000000, 0.0000512100000000 ] - [ -0.0001580500000000, 0.0000912500000000, 0.0000512100000000 ] - [ 0.0000466600000000, 0.0000269400000000, 0.0001488200000000 ] - [ -0.0000466600000000, 0.0000269400000000, 0.0001488200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001917000000000 ] - [ 0.0000000000000000, -0.0000538800000000, 0.0001488200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000617200000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0000604400000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0000604400000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0000604400000000 ] - [ 0.0000054300000000, -0.0000031300000000, -0.0003079900000000 ] - [ -0.0000054300000000, -0.0000031300000000, -0.0003079900000000 ] - [ 0.0000000000000000, 0.0000062700000000, -0.0003079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003083300000000 ] - [ 0.0000001800000000, -0.0000001000000000, -0.0000277500000000 ] - [ -0.0000001800000000, -0.0000001000000000, -0.0000277500000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0000277500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000270600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000217200000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0000211700000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0000211700000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0000211700000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0001894100000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0001894100000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0001894100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001896000000000 ] - [ 0.0000000300000000, 0.0000000100000000, -0.0003527100000000 ] - [ -0.0000000300000000, 0.0000000100000000, -0.0003527100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003521700000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0003527100000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0001409500000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0001409500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001412600000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0001409500000000 ] - [ 0.0000001100000000, -0.0000000700000000, -0.0001498000000000 ] - [ -0.0000001100000000, -0.0000000700000000, -0.0001498000000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0001498000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001496000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0358970600000000 ] - [ 0.0000000000000000, -0.0001420100000000, -0.0010087000000000 ] - [ 0.0001229900000000, 0.0000710100000000, -0.0010087000000000 ] - [ -0.0001229900000000, 0.0000710100000000, -0.0010087000000000 ] - [ -0.0000643100000000, 0.0000371300000000, -0.0004681900000000 ] - [ 0.0000643100000000, 0.0000371300000000, -0.0004681900000000 ] - [ 0.0000000000000000, -0.0000742600000000, -0.0004681900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007053600000000 ] - [ 0.0000000000000000, -0.0001947400000000, 0.0008403600000000 ] - [ 0.0001686500000000, 0.0000973700000000, 0.0008403600000000 ] - [ -0.0001686500000000, 0.0000973700000000, 0.0008403600000000 ] - [ 0.0034509400000000, -0.0019924000000000, 0.0029610500000000 ] - [ -0.0034509400000000, -0.0019924000000000, 0.0029610500000000 ] - [ 0.0000000000000000, 0.0039848000000000, 0.0029610500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017434400000000 ] - [ -0.0000005100000000, -0.0000002900000000, 0.0005442800000000 ] - [ 0.0000005100000000, -0.0000002900000000, 0.0005442800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009285900000000 ] - [ 0.0000000000000000, 0.0000005900000000, 0.0005442800000000 ] - [ 0.0000001100000000, -0.0000000700000000, -0.0005156400000000 ] - [ -0.0000001100000000, -0.0000000700000000, -0.0005156400000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0005156400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005139100000000 ] - [ 0.0000007300000000, 0.0000004200000000, 0.0006053300000000 ] - [ -0.0000007300000000, 0.0000004200000000, 0.0006053300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005997000000000 ] - [ 0.0000000000000000, -0.0000008400000000, 0.0006053300000000 ] - [ -0.0006136600000000, 0.0003543000000000, -0.0001201200000000 ] - [ 0.0006136600000000, 0.0003543000000000, -0.0001201200000000 ] - [ 0.0000000000000000, -0.0007085900000000, -0.0001201200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008860700000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0008507600000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0008507600000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0008507600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008506900000000 ] - [ -0.0000001100000000, -0.0000000600000000, -0.0004975900000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0004975900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004984500000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0004975900000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0007783900000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0007783900000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0007783900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007782200000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0006681600000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0006681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006684300000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0006681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006195900000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0006201700000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0006201700000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0006201700000000 ] - [ 0.0000028700000000, 0.0000016600000000, -0.0005237500000000 ] - [ -0.0000028700000000, 0.0000016600000000, -0.0005237500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005333800000000 ] - [ 0.0000000000000000, -0.0000033200000000, -0.0005237500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005925100000000 ] - [ 0.0000000000000000, -0.0000002600000000, 0.0005853200000000 ] - [ 0.0000002200000000, 0.0000001300000000, 0.0005853200000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0005853200000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0007287500000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0007287500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007290000000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0007287500000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0008339800000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0008339800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008339400000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0008339800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004795900000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0004792100000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0004792100000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0004792100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007736500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007736500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007730400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007736500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006715600000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0006730100000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0006730100000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0006730100000000 ] - [ -0.0000000800000000, 0.0000000400000000, 0.0006495300000000 ] - [ 0.0000000800000000, 0.0000000400000000, 0.0006495300000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0006495300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006494000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005456900000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0005453800000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0005453800000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0005453800000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0005848500000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0005848500000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0005848500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005842900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007452400000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0007453400000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0007453400000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0007453400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0080596200000000, -0.0046532200000000, -0.0092113000000000 ] - [ 0.0080596200000000, -0.0046532200000000, -0.0092113000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030801800000000 ] - [ 0.0000000000000000, 0.0093064500000000, -0.0092113000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000283800000000 ] - [ 0.0000000000000000, -0.0000025900000000, 0.0000262200000000 ] - [ 0.0000022400000000, 0.0000012900000000, 0.0000262200000000 ] - [ -0.0000022400000000, 0.0000012900000000, 0.0000262200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001834700000000 ] - [ 0.0000000000000000, 0.0001838500000000, 0.0003531700000000 ] - [ -0.0001592200000000, -0.0000919300000000, 0.0003531700000000 ] - [ 0.0001592200000000, -0.0000919300000000, 0.0003531700000000 ] - [ -0.0000453400000000, -0.0000261800000000, 0.0000734100000000 ] - [ 0.0000453400000000, -0.0000261800000000, 0.0000734100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004055300000000 ] - [ 0.0000000000000000, 0.0000523500000000, 0.0000734100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001499100000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0001486700000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0001486700000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0001486700000000 ] - [ -0.0000046300000000, 0.0000026800000000, -0.0000983000000000 ] - [ 0.0000046300000000, 0.0000026800000000, -0.0000983000000000 ] - [ 0.0000000000000000, -0.0000053500000000, -0.0000983000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000982800000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0001826500000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0001826500000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0001826500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001818700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001893600000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0001886500000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0001886500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0001886500000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0000195600000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0000195600000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0000195600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000196900000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0001422100000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0001422100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001428200000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0001422100000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0003515700000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0003515700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003512000000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0003515700000000 ] - [ -0.0000000400000000, 0.0000000300000000, 0.0000593600000000 ] - [ 0.0000000400000000, 0.0000000300000000, 0.0000593600000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0000593600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000592500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0379175100000000 ] - [ 0.0000000000000000, 0.0001352300000000, 0.0025537700000000 ] - [ -0.0001171100000000, -0.0000676100000000, 0.0025537700000000 ] - [ 0.0001171100000000, -0.0000676100000000, 0.0025537700000000 ] - [ 0.0000647000000000, -0.0000373600000000, -0.0005991700000000 ] - [ -0.0000647000000000, -0.0000373600000000, -0.0005991700000000 ] - [ 0.0000000000000000, 0.0000747100000000, -0.0005991700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005407600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007773300000000 ] - [ 0.0000000000000000, 0.0001897400000000, 0.0006461800000000 ] - [ -0.0001643200000000, -0.0000948700000000, 0.0006461800000000 ] - [ 0.0001643200000000, -0.0000948700000000, 0.0006461800000000 ] - [ -0.0035022600000000, 0.0020220300000000, -0.0045096900000000 ] - [ 0.0035022600000000, 0.0020220300000000, -0.0045096900000000 ] - [ 0.0000000000000000, -0.0040440600000000, -0.0045096900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002591100000000 ] - [ 0.0000006100000000, 0.0000003500000000, 0.0006126400000000 ] - [ -0.0000006100000000, 0.0000003500000000, 0.0006126400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002268100000000 ] - [ 0.0000000000000000, -0.0000007100000000, 0.0006126400000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0006185200000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0006185200000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0006185200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006201200000000 ] - [ -0.0000007200000000, -0.0000004200000000, 0.0004959900000000 ] - [ 0.0000007200000000, -0.0000004200000000, 0.0004959900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005015200000000 ] - [ 0.0000000000000000, 0.0000008400000000, 0.0004959900000000 ] - [ 0.0005939600000000, -0.0003429200000000, -0.0014130900000000 ] - [ -0.0005939600000000, -0.0003429200000000, -0.0014130900000000 ] - [ 0.0000000000000000, 0.0006858400000000, -0.0014130900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006722700000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0007453800000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0007453800000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0007453800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007453900000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0006030200000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0006030200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006020900000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0006030200000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0006726000000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0006726000000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0006726000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006726600000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0007730900000000 ] - [ 0.0000001600000000, -0.0000000900000000, -0.0007730900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007728100000000 ] - [ 0.0000000000000000, 0.0000001800000000, -0.0007730900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005150300000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0005147000000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0005147000000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0005147000000000 ] - [ -0.0000028900000000, -0.0000016700000000, -0.0006316900000000 ] - [ 0.0000028900000000, -0.0000016700000000, -0.0006316900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006222100000000 ] - [ 0.0000000000000000, 0.0000033400000000, -0.0006316900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004755800000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0004827100000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0004827100000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0004827100000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0008331600000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0008331600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008327700000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0008331600000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0007285600000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0007285600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007286000000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0007285600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005837700000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0005838700000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0005838700000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0005838700000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0006681400000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0006681400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006688200000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0006681400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007788500000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0007773200000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0007773200000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0007773200000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0005451200000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0005451200000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0005451200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005451800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006484600000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0006486600000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0006486600000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0006486600000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0004789100000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0004789100000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0004789100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004796900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008502700000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0008502400000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0008502400000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0008502400000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001727000000000, 0.0000000700000000, -0.0001095900000000 ] - [ 0.0002018800000000, 0.0000000500000000, -0.0001094500000000 ] - [ -0.0000037300000000, -0.0000975000000000, -0.0000401100000000 ] - [ -0.0000038600000000, 0.0000975800000000, -0.0001789400000000 ] - [ -0.0000057000000000, -0.0000108000000000, -0.0000805000000000 ] - [ -0.0000047200000000, 0.0000110400000000, -0.0000764800000000 ] - [ -0.0000241400000000, -0.0000001800000000, -0.0000788400000000 ] - [ -0.0002371000000000, 0.0000001700000000, -0.0000779000000000 ] - [ 0.0059618200000000, -0.0033350600000000, 0.0064829500000000 ] - [ 0.0057001300000000, 0.0031357200000000, -0.0058010700000000 ] - [ 0.0002282000000000, -0.0000130900000000, 0.0001942300000000 ] - [ -0.0009401400000000, -0.0000061100000000, 0.0001974100000000 ] - [ 0.0000003200000000, -0.0000000900000000, 0.0001099700000000 ] - [ -0.0000004700000000, -0.0000000800000000, 0.0001099500000000 ] - [ -0.0000002400000000, 0.0000002800000000, 0.0001112000000000 ] - [ -0.0000002300000000, -0.0000003600000000, 0.0001087200000000 ] - [ -0.0000001800000000, 0.0000001000000000, 0.0000449000000000 ] - [ -0.0000001400000000, 0.0000000100000000, 0.0000448600000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0000448800000000 ] - [ 0.0000001700000000, 0.0000000900000000, 0.0000448900000000 ] - [ 0.0000004300000000, 0.0000000000000000, -0.0002024000000000 ] - [ -0.0000005600000000, -0.0000000100000000, -0.0002023600000000 ] - [ -0.0000006100000000, -0.0000000200000000, -0.0002023400000000 ] - [ -0.0000006400000000, 0.0000000400000000, -0.0002024000000000 ] - [ 0.0000003600000000, -0.0000001700000000, 0.0000782200000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0000782400000000 ] - [ 0.0000001800000000, 0.0000000600000000, 0.0000782300000000 ] - [ 0.0000002500000000, -0.0000002200000000, 0.0000782500000000 ] - [ -0.0000001500000000, -0.0000000700000000, 0.0000846000000000 ] - [ -0.0000001100000000, 0.0000001100000000, 0.0000845900000000 ] - [ -0.0000002800000000, -0.0000000300000000, 0.0000845300000000 ] - [ 0.0000000300000000, -0.0000000300000000, 0.0000845400000000 ] - [ 0.0000005100000000, -0.0000000300000000, -0.0000840100000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0000840200000000 ] - [ -0.0000002300000000, -0.0000001500000000, -0.0000840200000000 ] - [ -0.0000002300000000, 0.0000001600000000, -0.0000840500000000 ] - [ 0.0000003000000000, -0.0000000400000000, -0.0002465500000000 ] - [ 0.0000006800000000, 0.0000000000000000, -0.0002465500000000 ] - [ 0.0000001300000000, 0.0000001100000000, -0.0002466900000000 ] - [ 0.0000002200000000, -0.0000000100000000, -0.0002464400000000 ] - [ -0.0000004900000000, 0.0000000100000000, 0.0002469900000000 ] - [ -0.0000001800000000, 0.0000000200000000, 0.0002469800000000 ] - [ 0.0000000500000000, -0.0000003400000000, 0.0002471600000000 ] - [ 0.0000000400000000, 0.0000002500000000, 0.0002467800000000 ] - [ 0.0000019300000000, -0.0000000500000000, -0.0000444300000000 ] - [ -0.0000017400000000, -0.0000000500000000, -0.0000443800000000 ] - [ 0.0000003400000000, 0.0000011200000000, -0.0000447300000000 ] - [ 0.0000002700000000, -0.0000012200000000, -0.0000439800000000 ] - [ 0.0000080700000000, -0.0000290900000000, 0.0007126700000000 ] - [ 0.0000079700000000, 0.0000297100000000, 0.0008420000000000 ] - [ -0.0000428900000000, 0.0000002700000000, 0.0007772000000000 ] - [ 0.0000273700000000, 0.0000002100000000, 0.0007773400000000 ] - [ -0.0273030400000000, 0.0001862300000000, -0.0008003700000000 ] - [ 0.0106183000000000, 0.0000053800000000, -0.0005375000000000 ] - [ 0.0019935800000000, -0.0049881600000000, -0.0006456000000000 ] - [ 0.0019835400000000, 0.0049760300000000, -0.0004215700000000 ] - [ -0.0000002100000000, -0.0000005400000000, 0.0007432900000000 ] - [ -0.0000001800000000, 0.0000009100000000, 0.0007416200000000 ] - [ -0.0000014500000000, 0.0000001800000000, 0.0007424000000000 ] - [ 0.0000008400000000, 0.0000001900000000, 0.0007424200000000 ] - [ 0.0000283500000000, -0.0000001400000000, -0.0007425300000000 ] - [ -0.0000052200000000, 0.0000000200000000, -0.0007430600000000 ] - [ -0.0000455600000000, -0.0000233000000000, -0.0009068900000000 ] - [ -0.0000453200000000, 0.0000231300000000, -0.0005784800000000 ] - [ -0.0019966400000000, 0.0000054600000000, 0.0005723500000000 ] - [ -0.0007216200000000, 0.0000045800000000, 0.0005766000000000 ] - [ 0.0018267700000000, -0.0021952900000000, -0.0029221200000000 ] - [ 0.0018219200000000, 0.0022168900000000, 0.0041049000000000 ] - [ 0.0000322900000000, 0.0000001700000000, -0.0005674500000000 ] - [ 0.0000283000000000, -0.0000002000000000, -0.0005674100000000 ] - [ -0.0000471600000000, -0.0000429000000000, -0.0005248500000000 ] - [ -0.0000476200000000, 0.0000444900000000, -0.0006108100000000 ] - [ -0.0000018500000000, 0.0000001100000000, 0.0005512100000000 ] - [ -0.0000148200000000, 0.0000000000000000, 0.0005514900000000 ] - [ 0.0006009400000000, -0.0003471400000000, 0.0011434300000000 ] - [ 0.0006068300000000, 0.0003523200000000, -0.0000556700000000 ] - [ 0.0000022300000000, -0.0000002700000000, -0.0007775100000000 ] - [ -0.0000007800000000, -0.0000002600000000, -0.0007774700000000 ] - [ -0.0000001000000000, 0.0000001400000000, -0.0007772500000000 ] - [ -0.0000000900000000, -0.0000006400000000, -0.0007777400000000 ] - [ -0.0000009800000000, 0.0000002100000000, 0.0007978800000000 ] - [ -0.0000005600000000, 0.0000002100000000, 0.0007979100000000 ] - [ -0.0000001800000000, 0.0000004300000000, 0.0007978800000000 ] - [ -0.0000001900000000, 0.0000000100000000, 0.0007979000000000 ] - [ -0.0000006500000000, 0.0000001900000000, -0.0005506900000000 ] - [ -0.0000003400000000, 0.0000001800000000, -0.0005506900000000 ] - [ -0.0000004600000000, 0.0000000900000000, -0.0005507700000000 ] - [ -0.0000004800000000, 0.0000003000000000, -0.0005506800000000 ] - [ -0.0000010000000000, 0.0000001300000000, 0.0007252800000000 ] - [ -0.0000006700000000, 0.0000001300000000, 0.0007252500000000 ] - [ -0.0000002600000000, 0.0000003900000000, 0.0007253200000000 ] - [ -0.0000002500000000, -0.0000000900000000, 0.0007252700000000 ] - [ 0.0000001600000000, -0.0000001800000000, -0.0007208700000000 ] - [ 0.0000004500000000, -0.0000001700000000, -0.0007209000000000 ] - [ 0.0000000400000000, -0.0000001200000000, -0.0007209000000000 ] - [ 0.0000000500000000, -0.0000002500000000, -0.0007209300000000 ] - [ -0.0000001200000000, 0.0000000200000000, 0.0005672000000000 ] - [ -0.0000001200000000, -0.0000006300000000, 0.0005674200000000 ] - [ 0.0000004400000000, -0.0000003100000000, 0.0005673700000000 ] - [ -0.0000000800000000, -0.0000003200000000, 0.0005673200000000 ] - [ -0.0000004300000000, 0.0000003500000000, -0.0005782200000000 ] - [ -0.0000002900000000, 0.0000003500000000, -0.0005782200000000 ] - [ -0.0000002100000000, 0.0000002300000000, -0.0005781500000000 ] - [ -0.0000002400000000, 0.0000004800000000, -0.0005782300000000 ] - [ 0.0000004500000000, -0.0000003800000000, 0.0005337600000000 ] - [ 0.0000004500000000, 0.0000000600000000, 0.0005340300000000 ] - [ 0.0000000700000000, -0.0000001500000000, 0.0005338800000000 ] - [ -0.0000000700000000, -0.0000001500000000, 0.0005338600000000 ] - [ 0.0000001700000000, -0.0000002600000000, -0.0007812700000000 ] - [ -0.0000002600000000, -0.0000002600000000, -0.0007812900000000 ] - [ -0.0000000700000000, -0.0000001100000000, -0.0007812000000000 ] - [ -0.0000001000000000, -0.0000004000000000, -0.0007813000000000 ] - [ -0.0000001000000000, 0.0000002500000000, 0.0007810200000000 ] - [ -0.0000002400000000, 0.0000002600000000, 0.0007809900000000 ] - [ -0.0000002200000000, 0.0000003200000000, 0.0007811400000000 ] - [ -0.0000002300000000, 0.0000001900000000, 0.0007808900000000 ] - [ -0.0000005200000000, 0.0000001100000000, -0.0005321300000000 ] - [ -0.0000005300000000, 0.0000002700000000, -0.0005318000000000 ] - [ -0.0000006600000000, 0.0000002000000000, -0.0005319300000000 ] - [ -0.0000003000000000, 0.0000001900000000, -0.0005319800000000 ] - [ -0.0000013500000000, 0.0000001800000000, 0.0007208100000000 ] - [ -0.0000029900000000, 0.0000001700000000, 0.0007206600000000 ] - [ -0.0000000500000000, -0.0000005700000000, 0.0007211800000000 ] - [ -0.0000000600000000, 0.0000009400000000, 0.0007202500000000 ] - [ 0.0000000500000000, -0.0000001900000000, -0.0007255700000000 ] - [ 0.0000000500000000, -0.0000000800000000, -0.0007254900000000 ] - [ -0.0000000600000000, -0.0000001400000000, -0.0007255700000000 ] - [ 0.0000001800000000, -0.0000001400000000, -0.0007255900000000 ] - [ 0.0000001300000000, -0.0000003500000000, 0.0005972400000000 ] - [ -0.0000003700000000, -0.0000003600000000, 0.0005972500000000 ] - [ -0.0000001600000000, -0.0000002400000000, 0.0005972700000000 ] - [ -0.0000001600000000, -0.0000004700000000, 0.0005972300000000 ] - [ -0.0000002700000000, 0.0000004100000000, -0.0005974800000000 ] - [ -0.0000002600000000, 0.0000003100000000, -0.0005974500000000 ] - [ -0.0000001700000000, 0.0000003500000000, -0.0005974400000000 ] - [ 0.0000001000000000, 0.0000003400000000, -0.0005974500000000 ] - [ 0.0000013000000000, -0.0000001900000000, 0.0005317400000000 ] - [ 0.0000000200000000, -0.0000001900000000, 0.0005318000000000 ] - [ 0.0000001900000000, -0.0000001000000000, 0.0005320900000000 ] - [ 0.0000001700000000, -0.0000002900000000, 0.0005321700000000 ] - [ -0.0000002300000000, 0.0000002300000000, -0.0007989400000000 ] - [ -0.0000001900000000, -0.0000006700000000, -0.0007973000000000 ] - [ 0.0000005600000000, -0.0000002200000000, -0.0007981600000000 ] - [ -0.0000003400000000, -0.0000002000000000, -0.0007981600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000028600000000, -0.0002042300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002545300000000 ] - [ 0.0000024700000000, -0.0000014300000000, -0.0002042300000000 ] - [ -0.0000024700000000, -0.0000014300000000, -0.0002042300000000 ] - [ 0.0000456000000000, -0.0000263300000000, -0.0000420600000000 ] - [ -0.0000456000000000, -0.0000263300000000, -0.0000420600000000 ] - [ 0.0000000000000000, 0.0000526500000000, -0.0000420600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003736000000000 ] - [ 0.0080388300000000, -0.0046412200000000, 0.0093008000000000 ] - [ -0.0080388300000000, -0.0046412200000000, 0.0093008000000000 ] - [ 0.0000000000000000, 0.0092824500000000, 0.0093008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031928000000000 ] - [ 0.0000000000000000, 0.0000026900000000, 0.0000044400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000075200000000 ] - [ 0.0000023300000000, -0.0000013400000000, 0.0000044400000000 ] - [ -0.0000023300000000, -0.0000013400000000, 0.0000044400000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0000600900000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0000600900000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0000600900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000597600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003074100000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0003082800000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0003082800000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0003082800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000276100000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0000269600000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0000269600000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0000269600000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0000202200000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0000202200000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0000202200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000197100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001886800000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0001890200000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0001890200000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0001890200000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0003519400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003516200000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0003519400000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0003519400000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0001416100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001418000000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0001416100000000 ] - [ -0.0000002700000000, -0.0000001500000000, 0.0001416100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001429100000000 ] - [ 0.0000000000000000, 0.0000124000000000, -0.0001509900000000 ] - [ -0.0000107400000000, -0.0000062000000000, -0.0001509900000000 ] - [ 0.0000107400000000, -0.0000062000000000, -0.0001509900000000 ] - [ -0.0000320100000000, 0.0000184800000000, 0.0008433200000000 ] - [ 0.0000320100000000, 0.0000184800000000, 0.0008433200000000 ] - [ 0.0000000000000000, -0.0000369600000000, 0.0008433200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007849800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0377239500000000 ] - [ 0.0000000000000000, 0.0001257800000000, -0.0022954900000000 ] - [ -0.0001089300000000, -0.0000628900000000, -0.0022954900000000 ] - [ 0.0001089300000000, -0.0000628900000000, -0.0022954900000000 ] - [ 0.0000012400000000, -0.0000007100000000, 0.0007958700000000 ] - [ -0.0000012400000000, -0.0000007100000000, 0.0007958700000000 ] - [ 0.0000000000000000, 0.0000014300000000, 0.0007958700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007942500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007815200000000 ] - [ 0.0000000000000000, -0.0000361700000000, -0.0006447600000000 ] - [ 0.0000313200000000, 0.0000180800000000, -0.0006447600000000 ] - [ -0.0000313200000000, 0.0000180800000000, -0.0006447600000000 ] - [ 0.0000000000000000, -0.0040815100000000, 0.0043417100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004082500000000 ] - [ -0.0035346900000000, 0.0020407600000000, 0.0043417100000000 ] - [ 0.0035346900000000, 0.0020407600000000, 0.0043417100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006038800000000 ] - [ 0.0000000000000000, 0.0001843100000000, -0.0004744100000000 ] - [ -0.0001596200000000, -0.0000921600000000, -0.0004744100000000 ] - [ 0.0001596200000000, -0.0000921600000000, -0.0004744100000000 ] - [ 0.0000000000000000, 0.0006811800000000, 0.0011866300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004463200000000 ] - [ 0.0005899200000000, -0.0003405900000000, 0.0011866300000000 ] - [ -0.0005899200000000, -0.0003405900000000, 0.0011866300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007203100000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0007272500000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0007272500000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0007272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008504900000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0008507700000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0008507700000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0008507700000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0004986100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004987600000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0004986100000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0004986100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007779900000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0007782100000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0007782100000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0007782100000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0006691800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006692100000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0006691800000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0006691800000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0006196300000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0006196300000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0006196300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006194900000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0005268400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005272600000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0005268400000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0005268400000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0005871500000000 ] - [ 0.0000001500000000, 0.0000000900000000, 0.0005871500000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0005871500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005868600000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0007293800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007301600000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0007293800000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0007293800000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0008343500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008334300000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0008343500000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0008343500000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0004799500000000 ] - [ 0.0000001400000000, 0.0000000800000000, -0.0004799500000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0004799500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004798500000000 ] - [ 0.0000000000000000, 0.0000009400000000, 0.0007680900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007959300000000 ] - [ 0.0000008100000000, -0.0000004700000000, 0.0007680900000000 ] - [ -0.0000008100000000, -0.0000004700000000, 0.0007680900000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0006738000000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0006738000000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0006738000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006741400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006500800000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0006497200000000 ] - [ 0.0000000400000000, 0.0000000300000000, 0.0006497200000000 ] - [ -0.0000000400000000, 0.0000000300000000, 0.0006497200000000 ] - [ -0.0000000800000000, 0.0000000400000000, -0.0005459800000000 ] - [ 0.0000000800000000, 0.0000000400000000, -0.0005459800000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0005459800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005460900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005860900000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0005855900000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0005855900000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0005855900000000 ] - [ 0.0000039100000000, -0.0000022600000000, -0.0007446100000000 ] - [ -0.0000039100000000, -0.0000022600000000, -0.0007446100000000 ] - [ 0.0000000000000000, 0.0000045100000000, -0.0007446100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007503000000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000029900000000, -0.0000139800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000357800000000 ] - [ -0.0000025900000000, 0.0000015000000000, -0.0000139800000000 ] - [ 0.0000025900000000, 0.0000015000000000, -0.0000139800000000 ] - [ -0.0000468600000000, 0.0000270500000000, -0.0001168500000000 ] - [ 0.0000468600000000, 0.0000270500000000, -0.0001168500000000 ] - [ 0.0000000000000000, -0.0000541100000000, -0.0001168500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002232000000000 ] - [ -0.0077949800000000, 0.0045004300000000, -0.0088002800000000 ] - [ 0.0077949800000000, 0.0045004300000000, -0.0088002800000000 ] - [ 0.0000000000000000, -0.0090008600000000, -0.0088002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027800800000000 ] - [ 0.0000000000000000, -0.0000027500000000, 0.0002162600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002130900000000 ] - [ -0.0000023800000000, 0.0000013800000000, 0.0002162600000000 ] - [ 0.0000023800000000, 0.0000013800000000, 0.0002162600000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0001505000000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0001505000000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0001505000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001500700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000967500000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0000961700000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0000961700000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0000961700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001844900000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0001840400000000 ] - [ -0.0000000300000000, -0.0000000100000000, 0.0001840400000000 ] - [ 0.0000000300000000, -0.0000000100000000, 0.0001840400000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0001898400000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0001898400000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0001898400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001893200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000208900000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0000213200000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0000213200000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0000213200000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0001408800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001412100000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0001408800000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0001408800000000 ] - [ 0.0000000000000000, -0.0000003300000000, 0.0003530600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003528700000000 ] - [ -0.0000002900000000, 0.0000001600000000, 0.0003530600000000 ] - [ 0.0000002900000000, 0.0000001600000000, 0.0003530600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000543300000000 ] - [ 0.0000000000000000, -0.0000127100000000, 0.0000627600000000 ] - [ 0.0000110100000000, 0.0000063600000000, 0.0000627600000000 ] - [ -0.0000110100000000, 0.0000063600000000, 0.0000627600000000 ] - [ 0.0000317200000000, -0.0000183100000000, 0.0007109300000000 ] - [ -0.0000317200000000, -0.0000183100000000, 0.0007109300000000 ] - [ 0.0000000000000000, 0.0000366300000000, 0.0007109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007689100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0362083300000000 ] - [ 0.0000000000000000, -0.0001327100000000, 0.0012371800000000 ] - [ 0.0001149300000000, 0.0000663500000000, 0.0012371800000000 ] - [ -0.0001149300000000, 0.0000663500000000, 0.0012371800000000 ] - [ -0.0000012200000000, 0.0000007100000000, 0.0006886000000000 ] - [ 0.0000012200000000, 0.0000007100000000, 0.0006886000000000 ] - [ 0.0000000000000000, -0.0000014100000000, 0.0006886000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006900400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007045600000000 ] - [ 0.0000000000000000, 0.0000362300000000, -0.0008405900000000 ] - [ -0.0000313700000000, -0.0000181100000000, -0.0008405900000000 ] - [ 0.0000313700000000, -0.0000181100000000, -0.0008405900000000 ] - [ 0.0000000000000000, 0.0040219200000000, -0.0031227800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015634900000000 ] - [ 0.0034830900000000, -0.0020109600000000, -0.0031227800000000 ] - [ -0.0034830900000000, -0.0020109600000000, -0.0031227800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005285600000000 ] - [ 0.0000000000000000, -0.0001892500000000, -0.0006618700000000 ] - [ 0.0001639000000000, 0.0000946200000000, -0.0006618700000000 ] - [ -0.0001639000000000, 0.0000946200000000, -0.0006618700000000 ] - [ 0.0000000000000000, -0.0007038100000000, -0.0001072800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006580000000000 ] - [ -0.0006095200000000, 0.0003519000000000, -0.0001072800000000 ] - [ 0.0006095200000000, 0.0003519000000000, -0.0001072800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008349500000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0008280400000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0008280400000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0008280400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007449200000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0007446300000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0007446300000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0007446300000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0006027600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006026700000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0006027600000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0006027600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006722800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006720100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006720100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006720100000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0007728600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007727500000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0007728600000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0007728600000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0005144900000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0005144900000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0005144900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005146400000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0006294300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006290000000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0006294300000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0006294300000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0004802000000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0004802000000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0004802000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004804100000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0008332200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008326600000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0008332200000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0008332200000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0007274300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007284500000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0007274300000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0007274300000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0005840000000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0005840000000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0005840000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005840200000000 ] - [ 0.0000000000000000, -0.0000009900000000, 0.0006731700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006446500000000 ] - [ -0.0000008600000000, 0.0000005000000000, 0.0006731700000000 ] - [ 0.0000008600000000, 0.0000005000000000, 0.0006731700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007773200000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0007773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005438500000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0005442500000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0005442500000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0005442500000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0006488900000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0006488900000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0006488900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006487700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004769300000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0004783100000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0004783100000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0004783100000000 ] - [ -0.0000039800000000, 0.0000023000000000, -0.0008517600000000 ] - [ 0.0000039800000000, 0.0000023000000000, -0.0008517600000000 ] - [ 0.0000000000000000, -0.0000045900000000, -0.0008517600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008460500000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000116600000000, -0.0000898900000000, -0.0000160100000000 ] - [ -0.0000119500000000, 0.0000897900000000, -0.0002036900000000 ] - [ -0.0001124700000000, 0.0000001300000000, -0.0001099000000000 ] - [ 0.0001437600000000, -0.0000000300000000, -0.0001099600000000 ] - [ 0.0000002800000000, 0.0000000900000000, -0.0000781800000000 ] - [ -0.0000007000000000, 0.0000001200000000, -0.0000782000000000 ] - [ -0.0000007900000000, 0.0000000800000000, -0.0000781600000000 ] - [ -0.0000007300000000, 0.0000001700000000, -0.0000782000000000 ] - [ 0.0000039300000000, 0.0000000000000000, 0.0002024700000000 ] - [ -0.0000035100000000, -0.0000000300000000, 0.0002024400000000 ] - [ 0.0000000000000000, 0.0000020400000000, 0.0002039900000000 ] - [ -0.0000000400000000, -0.0000020100000000, 0.0002008800000000 ] - [ 0.0056164400000000, 0.0030968800000000, 0.0060341200000000 ] - [ 0.0058806700000000, -0.0032965100000000, -0.0060907300000000 ] - [ -0.0009391300000000, -0.0000064700000000, 0.0001150300000000 ] - [ 0.0002128000000000, -0.0000151100000000, 0.0001189900000000 ] - [ 0.0000004000000000, 0.0000000500000000, 0.0000445200000000 ] - [ 0.0000000600000000, 0.0000000600000000, 0.0000445300000000 ] - [ -0.0000002800000000, -0.0000001500000000, 0.0000445500000000 ] - [ -0.0000002900000000, 0.0000002900000000, 0.0000445200000000 ] - [ 0.0000033000000000, -0.0000309500000000, -0.0002156000000000 ] - [ 0.0000048200000000, 0.0000297900000000, -0.0001890500000000 ] - [ -0.0000485600000000, 0.0000001000000000, -0.0002030800000000 ] - [ -0.0001460500000000, 0.0000027900000000, -0.0002023500000000 ] - [ 0.0000011800000000, 0.0000003600000000, 0.0000787600000000 ] - [ 0.0000006800000000, -0.0000005200000000, 0.0000771900000000 ] - [ 0.0000016900000000, 0.0000002300000000, 0.0000780600000000 ] - [ -0.0000017700000000, -0.0000001300000000, 0.0000779200000000 ] - [ -0.0000009800000000, 0.0000000200000000, 0.0000843100000000 ] - [ 0.0000000400000000, 0.0000000100000000, 0.0000842900000000 ] - [ 0.0000002000000000, 0.0000000800000000, 0.0000842400000000 ] - [ 0.0000001800000000, -0.0000001400000000, 0.0000842500000000 ] - [ -0.0000001000000000, -0.0000000100000000, -0.0000843500000000 ] - [ -0.0000000400000000, 0.0000000000000000, -0.0000843500000000 ] - [ -0.0000000300000000, -0.0000000100000000, -0.0000843500000000 ] - [ 0.0000002200000000, 0.0000000300000000, -0.0000843900000000 ] - [ 0.0000001000000000, -0.0000001700000000, -0.0002467900000000 ] - [ 0.0000001700000000, 0.0000001200000000, -0.0002469700000000 ] - [ 0.0000006100000000, 0.0000000300000000, -0.0002469100000000 ] - [ 0.0000003800000000, 0.0000000700000000, -0.0002468700000000 ] - [ -0.0000001400000000, 0.0000000600000000, 0.0002467100000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0002466200000000 ] - [ 0.0000001300000000, -0.0000000500000000, 0.0002466500000000 ] - [ -0.0000002100000000, -0.0000000400000000, 0.0002466600000000 ] - [ -0.0000000600000000, -0.0000000100000000, -0.0000448200000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0000445800000000 ] - [ 0.0000000400000000, -0.0000000500000000, -0.0000446600000000 ] - [ -0.0000005300000000, -0.0000000900000000, -0.0000446700000000 ] - [ 0.0000312900000000, 0.0000003300000000, 0.0007776400000000 ] - [ 0.0000259800000000, 0.0000005100000000, 0.0007781000000000 ] - [ -0.0000503300000000, -0.0000435000000000, 0.0009441900000000 ] - [ -0.0000500900000000, 0.0000444800000000, 0.0006113800000000 ] - [ -0.0000000900000000, -0.0000005500000000, -0.0005328600000000 ] - [ -0.0000000800000000, 0.0000008600000000, -0.0005353000000000 ] - [ -0.0000013000000000, 0.0000001500000000, -0.0005340400000000 ] - [ 0.0000010100000000, 0.0000001500000000, -0.0005340300000000 ] - [ -0.0269239100000000, 0.0002017800000000, 0.0010058000000000 ] - [ 0.0107558900000000, 0.0000052500000000, 0.0007463700000000 ] - [ 0.0019968800000000, -0.0050652700000000, 0.0009026400000000 ] - [ 0.0019871200000000, 0.0050538300000000, 0.0005811200000000 ] - [ 0.0000061500000000, 0.0000367500000000, -0.0007293100000000 ] - [ 0.0000061100000000, -0.0000370700000000, -0.0007558400000000 ] - [ 0.0000700600000000, -0.0000002200000000, -0.0007427200000000 ] - [ -0.0000890000000000, -0.0000002400000000, -0.0007426200000000 ] - [ -0.0000003600000000, -0.0000009300000000, 0.0005826400000000 ] - [ -0.0000003800000000, 0.0000002600000000, 0.0005741800000000 ] - [ -0.0000005600000000, -0.0000003600000000, 0.0005784400000000 ] - [ 0.0000006700000000, -0.0000003600000000, 0.0005783800000000 ] - [ 0.0000002500000000, 0.0000001200000000, -0.0005676700000000 ] - [ 0.0000002500000000, 0.0000004900000000, -0.0005672500000000 ] - [ -0.0000000600000000, 0.0000003100000000, -0.0005674500000000 ] - [ -0.0000002400000000, 0.0000003100000000, -0.0005674400000000 ] - [ 0.0000002300000000, -0.0000000200000000, 0.0005509800000000 ] - [ 0.0000002300000000, -0.0000003400000000, 0.0005510100000000 ] - [ 0.0000001100000000, -0.0000001900000000, 0.0005510100000000 ] - [ -0.0000000400000000, -0.0000002000000000, 0.0005510200000000 ] - [ 0.0018066900000000, -0.0022088600000000, 0.0026852500000000 ] - [ 0.0018033800000000, 0.0022304900000000, -0.0042674300000000 ] - [ -0.0020394600000000, 0.0000064100000000, -0.0007710300000000 ] - [ -0.0007382000000000, 0.0000044800000000, -0.0007759800000000 ] - [ -0.0000003000000000, 0.0000002400000000, 0.0007982700000000 ] - [ -0.0000002900000000, 0.0000001800000000, 0.0007983900000000 ] - [ -0.0000002500000000, 0.0000002100000000, 0.0007983300000000 ] - [ -0.0000001900000000, 0.0000002200000000, 0.0007983300000000 ] - [ 0.0000000700000000, 0.0000010700000000, -0.0005516400000000 ] - [ 0.0000000900000000, -0.0000007000000000, -0.0005497500000000 ] - [ -0.0000029500000000, 0.0000002000000000, -0.0005507000000000 ] - [ -0.0000014400000000, 0.0000001900000000, -0.0005507100000000 ] - [ -0.0000004300000000, 0.0000000100000000, 0.0007255900000000 ] - [ -0.0000004700000000, 0.0000002500000000, 0.0007258600000000 ] - [ -0.0000006500000000, 0.0000001600000000, 0.0007258000000000 ] - [ -0.0000002600000000, 0.0000001300000000, 0.0007257000000000 ] - [ 0.0000002600000000, -0.0000002400000000, -0.0007209200000000 ] - [ 0.0000002500000000, -0.0000001100000000, -0.0007208600000000 ] - [ 0.0000001900000000, -0.0000001900000000, -0.0007209300000000 ] - [ 0.0000003600000000, -0.0000001800000000, -0.0007209200000000 ] - [ 0.0000001100000000, -0.0000003100000000, 0.0005676900000000 ] - [ 0.0000012600000000, -0.0000003000000000, 0.0005677300000000 ] - [ 0.0000000200000000, -0.0000010200000000, 0.0005678500000000 ] - [ 0.0000000100000000, 0.0000004000000000, 0.0005676500000000 ] - [ 0.0004580700000000, 0.0002723200000000, -0.0010511700000000 ] - [ 0.0004643000000000, -0.0002777700000000, -0.0000930000000000 ] - [ -0.0000215900000000, 0.0000002300000000, -0.0005784700000000 ] - [ -0.0000152000000000, -0.0000033500000000, -0.0005819600000000 ] - [ 0.0000283100000000, 0.0000001200000000, 0.0005341000000000 ] - [ -0.0000053000000000, 0.0000005100000000, 0.0005348700000000 ] - [ -0.0000449800000000, -0.0000238800000000, 0.0005656700000000 ] - [ -0.0000460200000000, 0.0000225300000000, 0.0005028700000000 ] - [ 0.0000004500000000, -0.0000001300000000, -0.0007811800000000 ] - [ 0.0000004300000000, -0.0000003700000000, -0.0007813600000000 ] - [ 0.0000000300000000, -0.0000002500000000, -0.0007812400000000 ] - [ 0.0000002100000000, -0.0000002700000000, -0.0007812500000000 ] - [ -0.0000003900000000, 0.0000001400000000, 0.0007814500000000 ] - [ -0.0000004100000000, 0.0000003700000000, 0.0007814300000000 ] - [ 0.0000001100000000, 0.0000002500000000, 0.0007814100000000 ] - [ -0.0000002100000000, 0.0000002600000000, 0.0007814900000000 ] - [ -0.0000010500000000, 0.0000001900000000, -0.0005319500000000 ] - [ -0.0000006600000000, 0.0000001900000000, -0.0005319500000000 ] - [ -0.0000002700000000, 0.0000004200000000, -0.0005319200000000 ] - [ -0.0000002600000000, -0.0000000400000000, -0.0005319600000000 ] - [ -0.0000005000000000, 0.0000002100000000, 0.0007213000000000 ] - [ -0.0000005000000000, 0.0000001500000000, 0.0007211000000000 ] - [ -0.0000003100000000, 0.0000001900000000, 0.0007211500000000 ] - [ -0.0000005500000000, 0.0000001900000000, 0.0007211700000000 ] - [ -0.0000006600000000, -0.0000001300000000, -0.0007255600000000 ] - [ -0.0000002300000000, -0.0000001400000000, -0.0007255300000000 ] - [ 0.0000001300000000, 0.0000000800000000, -0.0007255700000000 ] - [ 0.0000001400000000, -0.0000003600000000, -0.0007256000000000 ] - [ -0.0000001000000000, -0.0000002000000000, 0.0005975800000000 ] - [ -0.0000001200000000, -0.0000005100000000, 0.0005977200000000 ] - [ 0.0000001400000000, -0.0000003500000000, 0.0005976600000000 ] - [ -0.0000002100000000, -0.0000003600000000, 0.0005976200000000 ] - [ 0.0000009200000000, 0.0000003700000000, -0.0005974500000000 ] - [ -0.0000003200000000, 0.0000003600000000, -0.0005973800000000 ] - [ -0.0000002600000000, 0.0000003100000000, -0.0005975600000000 ] - [ -0.0000002800000000, 0.0000003700000000, -0.0005976200000000 ] - [ 0.0000002200000000, -0.0000001800000000, 0.0005321800000000 ] - [ 0.0000001900000000, -0.0000001900000000, 0.0005322400000000 ] - [ 0.0000002100000000, -0.0000001900000000, 0.0005321800000000 ] - [ 0.0000004700000000, -0.0000002100000000, 0.0005321900000000 ] - [ 0.0000010900000000, -0.0000002300000000, -0.0007981100000000 ] - [ -0.0000000600000000, -0.0000002300000000, -0.0007980900000000 ] - [ -0.0000002400000000, -0.0000003100000000, -0.0007981900000000 ] - [ -0.0000002300000000, -0.0000001000000000, -0.0007981100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000611900000000, 0.0000353300000000, -0.0002229800000000 ] - [ -0.0000611900000000, 0.0000353300000000, -0.0002229800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001991900000000 ] - [ 0.0000000000000000, -0.0000706600000000, -0.0002229800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001834600000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0001842700000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0001842700000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0001842700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000939500000000 ] - [ 0.0000000000000000, 0.0000004700000000, 0.0000977700000000 ] - [ -0.0000004100000000, -0.0000002400000000, 0.0000977700000000 ] - [ 0.0000004100000000, -0.0000002400000000, 0.0000977700000000 ] - [ 0.0077987500000000, 0.0045026100000000, 0.0091007300000000 ] - [ -0.0077987500000000, 0.0045026100000000, 0.0091007300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030719300000000 ] - [ 0.0000000000000000, -0.0090052200000000, 0.0091007300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000603100000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0000603400000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0000603400000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0000603400000000 ] - [ 0.0000366500000000, -0.0000211600000000, -0.0001601600000000 ] - [ -0.0000366500000000, -0.0000211600000000, -0.0001601600000000 ] - [ 0.0000000000000000, 0.0000423100000000, -0.0001601600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005076300000000 ] - [ -0.0000107200000000, 0.0000061900000000, -0.0000296400000000 ] - [ 0.0000107200000000, 0.0000061900000000, -0.0000296400000000 ] - [ 0.0000000000000000, -0.0000123800000000, -0.0000296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000200000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000220600000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0000207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000207100000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0001895300000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0001895300000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0001895300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001891800000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0003524200000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0003524200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003520700000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0003524200000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0001412000000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0001412000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001417200000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0001412000000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0001495700000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0001495700000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0001495700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001498300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007412600000000 ] - [ 0.0000000000000000, 0.0000496300000000, 0.0008739700000000 ] - [ -0.0000429800000000, -0.0000248100000000, 0.0008739700000000 ] - [ 0.0000429800000000, -0.0000248100000000, 0.0008739700000000 ] - [ 0.0000009000000000, -0.0000005200000000, -0.0004799700000000 ] - [ -0.0000009000000000, -0.0000005200000000, -0.0004799700000000 ] - [ 0.0000000000000000, 0.0000010300000000, -0.0004799700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004816200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0360088100000000 ] - [ 0.0000000000000000, -0.0001895000000000, -0.0009983800000000 ] - [ 0.0001641100000000, 0.0000947500000000, -0.0009983800000000 ] - [ -0.0001641100000000, 0.0000947500000000, -0.0009983800000000 ] - [ 0.0000133000000000, -0.0000076800000000, -0.0007080800000000 ] - [ -0.0000133000000000, -0.0000076800000000, -0.0007080800000000 ] - [ 0.0000000000000000, 0.0000153600000000, -0.0007080800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006338500000000 ] - [ -0.0000007300000000, -0.0000004200000000, 0.0006301300000000 ] - [ 0.0000007300000000, -0.0000004200000000, 0.0006301300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006294700000000 ] - [ 0.0000000000000000, 0.0000008400000000, 0.0006301300000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0005142400000000 ] - [ 0.0000001400000000, 0.0000000800000000, -0.0005142400000000 ] - [ 0.0000000000000000, -0.0000001700000000, -0.0005142400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005144100000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0006030600000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0006030600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006025400000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0006030600000000 ] - [ 0.0034757400000000, -0.0020067200000000, 0.0029272200000000 ] - [ -0.0034757400000000, -0.0020067200000000, 0.0029272200000000 ] - [ 0.0000000000000000, 0.0040134400000000, 0.0029272200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017776100000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0008502400000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0008502400000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0008502400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008496800000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0005029300000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0005029300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004743600000000 ] - [ 0.0000000000000000, 0.0000004200000000, -0.0005029300000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0007776500000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0007776500000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0007776500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007776500000000 ] - [ 0.0000000400000000, 0.0000000300000000, -0.0006671700000000 ] - [ -0.0000000400000000, 0.0000000300000000, -0.0006671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006681500000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0006671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006169200000000 ] - [ 0.0000000000000000, -0.0000050400000000, 0.0006201700000000 ] - [ 0.0000043600000000, 0.0000025200000000, 0.0006201700000000 ] - [ -0.0000043600000000, 0.0000025200000000, 0.0006201700000000 ] - [ -0.0006298200000000, -0.0003636300000000, 0.0000565900000000 ] - [ 0.0006298200000000, -0.0003636300000000, 0.0000565900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006845700000000 ] - [ 0.0000000000000000, 0.0007272500000000, 0.0000565900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004948300000000 ] - [ 0.0000000000000000, 0.0001921600000000, 0.0006332300000000 ] - [ -0.0001664100000000, -0.0000960800000000, 0.0006332300000000 ] - [ 0.0001664100000000, -0.0000960800000000, 0.0006332300000000 ] - [ 0.0000001300000000, 0.0000000800000000, -0.0007276000000000 ] - [ -0.0000001300000000, 0.0000000800000000, -0.0007276000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007277600000000 ] - [ 0.0000000000000000, -0.0000001500000000, -0.0007276000000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0008334700000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0008334700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008334200000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0008334700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004787700000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0004784400000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0004784400000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0004784400000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0007730900000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0007730900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007730400000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0007730900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006724300000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0006720900000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0006720900000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0006720900000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0006491300000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0006491300000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0006491300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005431400000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0005444400000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0005444400000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0005444400000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0005844200000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0005844200000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0005844200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005844300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007432100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007447500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007447500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007447500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000616400000000, -0.0000355900000000, 0.0000028600000000 ] - [ 0.0000616400000000, -0.0000355900000000, 0.0000028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000208700000000 ] - [ 0.0000000000000000, 0.0000711700000000, 0.0000028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000262800000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0000272300000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0000272300000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0000272300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003106200000000 ] - [ 0.0000000000000000, -0.0000003300000000, 0.0003066700000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0003066700000000 ] - [ -0.0000002800000000, 0.0000001600000000, 0.0003066700000000 ] - [ -0.0080428000000000, -0.0046435100000000, -0.0089764500000000 ] - [ 0.0080428000000000, -0.0046435100000000, -0.0089764500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028596200000000 ] - [ 0.0000000000000000, 0.0092870200000000, -0.0089764500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001490300000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0001489500000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0001489500000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0001489500000000 ] - [ -0.0000348700000000, 0.0000201300000000, -0.0002423300000000 ] - [ 0.0000348700000000, 0.0000201300000000, -0.0002423300000000 ] - [ 0.0000000000000000, -0.0000402600000000, -0.0002423300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000961400000000 ] - [ 0.0000104600000000, -0.0000060400000000, 0.0001848800000000 ] - [ -0.0000104600000000, -0.0000060400000000, 0.0001848800000000 ] - [ 0.0000000000000000, 0.0000120800000000, 0.0001848800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001754100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001897100000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0001885500000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0001885500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0001885500000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0000200800000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0000200800000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0000200800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000196700000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0001421500000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0001421500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001425600000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0001421500000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0003517000000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0003517000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003511200000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0003517000000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0000594900000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0000594900000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0000594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000598300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008143000000000 ] - [ 0.0000000000000000, -0.0000496800000000, 0.0006810100000000 ] - [ 0.0000430200000000, 0.0000248400000000, 0.0006810100000000 ] - [ -0.0000430200000000, 0.0000248400000000, 0.0006810100000000 ] - [ -0.0000009100000000, 0.0000005300000000, -0.0005866800000000 ] - [ 0.0000009100000000, 0.0000005300000000, -0.0005866800000000 ] - [ 0.0000000000000000, -0.0000010500000000, -0.0005866800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0379095700000000 ] - [ 0.0000000000000000, 0.0001817900000000, 0.0024744800000000 ] - [ -0.0001574300000000, -0.0000908900000000, 0.0024744800000000 ] - [ 0.0001574300000000, -0.0000908900000000, 0.0024744800000000 ] - [ -0.0000133700000000, 0.0000077200000000, -0.0007758100000000 ] - [ 0.0000133700000000, 0.0000077200000000, -0.0007758100000000 ] - [ 0.0000000000000000, -0.0000154400000000, -0.0007758100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008507100000000 ] - [ 0.0000006900000000, 0.0000004000000000, 0.0005261100000000 ] - [ -0.0000006900000000, 0.0000004000000000, 0.0005261100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005267700000000 ] - [ 0.0000000000000000, -0.0000007900000000, 0.0005261100000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0006193100000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0006193100000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0006193100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006190300000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0004984300000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0004984300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004988300000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0004984300000000 ] - [ -0.0035274900000000, 0.0020366000000000, -0.0045445800000000 ] - [ 0.0035274900000000, 0.0020366000000000, -0.0045445800000000 ] - [ 0.0000000000000000, -0.0040731900000000, -0.0045445800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002238600000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0007459800000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0007459800000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0007459800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007464900000000 ] - [ 0.0000003400000000, 0.0000002000000000, -0.0005972400000000 ] - [ -0.0000003400000000, 0.0000002000000000, -0.0005972400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006251700000000 ] - [ 0.0000000000000000, -0.0000003900000000, -0.0005972400000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0006734100000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0006734100000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0006734100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006733300000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0007734000000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0007734000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007724100000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0007734000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005178100000000 ] - [ 0.0000000000000000, 0.0000049100000000, 0.0005148600000000 ] - [ -0.0000042500000000, -0.0000024500000000, 0.0005148600000000 ] - [ 0.0000042500000000, -0.0000024500000000, 0.0005148600000000 ] - [ 0.0006098400000000, 0.0003520900000000, -0.0011897800000000 ] - [ -0.0006098400000000, 0.0003520900000000, -0.0011897800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004747000000000 ] - [ 0.0000000000000000, -0.0007041900000000, -0.0011897800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005708900000000 ] - [ 0.0000000000000000, -0.0001870900000000, 0.0004363000000000 ] - [ 0.0001620300000000, 0.0000935500000000, 0.0004363000000000 ] - [ -0.0001620300000000, 0.0000935500000000, 0.0004363000000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0008336600000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0008336600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008333400000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0008336600000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0007291400000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0007291400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007292300000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0007291400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005839400000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0005840600000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0005840600000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0005840600000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0006687700000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0006687700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006689200000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0006687700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007773400000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0007775600000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0007775600000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0007775600000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0005456800000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0005456800000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0005456800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005462500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006504600000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0006497700000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0006497700000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0006497700000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0004794900000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0004794900000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0004794900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004797100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008516600000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0008501700000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0008501700000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0008501700000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000270800000000, 0.0000000700000000, -0.0001092500000000 ] - [ -0.0000819900000000, -0.0000006200000000, -0.0001090000000000 ] - [ 0.0000194800000000, 0.0000591200000000, -0.0001207300000000 ] - [ 0.0000180200000000, -0.0000571300000000, -0.0000987400000000 ] - [ -0.0000123900000000, -0.0000883100000000, -0.0001719700000000 ] - [ -0.0000121600000000, 0.0000887700000000, 0.0000153400000000 ] - [ -0.0001111900000000, 0.0000000500000000, -0.0000783300000000 ] - [ 0.0001410800000000, 0.0000002100000000, -0.0000784000000000 ] - [ 0.0059677500000000, 0.0033365900000000, -0.0060834900000000 ] - [ 0.0057061300000000, -0.0031374300000000, 0.0062118800000000 ] - [ -0.0009393000000000, 0.0000061400000000, 0.0002076500000000 ] - [ 0.0002313500000000, 0.0000132200000000, 0.0002108000000000 ] - [ -0.0000021300000000, -0.0000001000000000, 0.0001095000000000 ] - [ 0.0000013900000000, -0.0000001000000000, 0.0001095100000000 ] - [ 0.0000001500000000, -0.0000007500000000, 0.0001102300000000 ] - [ 0.0000001500000000, 0.0000007000000000, 0.0001088400000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0000442800000000 ] - [ 0.0000000400000000, 0.0000002100000000, 0.0000445300000000 ] - [ 0.0000005700000000, 0.0000000400000000, 0.0000444000000000 ] - [ 0.0000002900000000, 0.0000000900000000, 0.0000444100000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0002028600000000 ] - [ 0.0000006700000000, -0.0000000100000000, -0.0002028200000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0002029900000000 ] - [ -0.0000001100000000, -0.0000000400000000, -0.0002026600000000 ] - [ -0.0000002400000000, -0.0000001700000000, 0.0000777700000000 ] - [ -0.0000000700000000, -0.0000001200000000, 0.0000777900000000 ] - [ 0.0000001800000000, -0.0000003400000000, 0.0000780100000000 ] - [ 0.0000002500000000, 0.0000001800000000, 0.0000775700000000 ] - [ -0.0000001300000000, 0.0000001100000000, 0.0000841400000000 ] - [ -0.0000000800000000, -0.0000000800000000, 0.0000842000000000 ] - [ 0.0000000800000000, -0.0000000300000000, 0.0000841100000000 ] - [ -0.0000002800000000, -0.0000000300000000, 0.0000841200000000 ] - [ 0.0000003400000000, -0.0000000300000000, -0.0000844700000000 ] - [ 0.0000002000000000, 0.0000000100000000, -0.0000844900000000 ] - [ 0.0000002000000000, 0.0000000900000000, -0.0000845800000000 ] - [ 0.0000002100000000, -0.0000000700000000, -0.0000844300000000 ] - [ -0.0000001800000000, -0.0000000400000000, -0.0002470100000000 ] - [ 0.0000004200000000, 0.0000000000000000, -0.0002470200000000 ] - [ 0.0000001600000000, -0.0000000600000000, -0.0002470800000000 ] - [ 0.0000002400000000, 0.0000001600000000, -0.0002469800000000 ] - [ 0.0000001500000000, 0.0000000000000000, 0.0002465400000000 ] - [ -0.0000000600000000, 0.0000000200000000, 0.0002465200000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0002464800000000 ] - [ 0.0000000900000000, -0.0000001500000000, 0.0002465500000000 ] - [ 0.0000023800000000, -0.0000000400000000, -0.0000448500000000 ] - [ -0.0000026400000000, -0.0000000200000000, -0.0000448100000000 ] - [ -0.0000001800000000, 0.0000014400000000, -0.0000463200000000 ] - [ -0.0000002300000000, -0.0000015900000000, -0.0000432700000000 ] - [ -0.0000155400000000, -0.0000045600000000, 0.0007768800000000 ] - [ -0.0000158600000000, 0.0000051500000000, 0.0007781500000000 ] - [ 0.0001242900000000, 0.0000003200000000, 0.0007784200000000 ] - [ -0.0000072900000000, 0.0000002400000000, 0.0007780100000000 ] - [ -0.0019969200000000, -0.0000056500000000, -0.0005283500000000 ] - [ -0.0007218600000000, -0.0000047500000000, -0.0005326300000000 ] - [ 0.0018216600000000, -0.0022171500000000, -0.0040560200000000 ] - [ 0.0018265000000000, 0.0021950500000000, 0.0029612800000000 ] - [ -0.0000007500000000, -0.0000004200000000, 0.0007421900000000 ] - [ -0.0000007300000000, 0.0000008200000000, 0.0007436300000000 ] - [ -0.0000010600000000, 0.0000001700000000, 0.0007428400000000 ] - [ 0.0000003300000000, 0.0000001800000000, 0.0007428600000000 ] - [ -0.0000147400000000, -0.0000005000000000, -0.0007431000000000 ] - [ -0.0000211500000000, -0.0000007000000000, -0.0007434600000000 ] - [ 0.0004642400000000, -0.0002786000000000, -0.0001160900000000 ] - [ 0.0004590100000000, 0.0002715100000000, -0.0013554700000000 ] - [ -0.0273361600000000, -0.0001862700000000, 0.0008431900000000 ] - [ 0.0106336400000000, -0.0000059900000000, 0.0005818700000000 ] - [ 0.0019673800000000, -0.0049942400000000, 0.0004622900000000 ] - [ 0.0019772900000000, 0.0050064100000000, 0.0006932000000000 ] - [ 0.0000684600000000, 0.0000003400000000, -0.0005675800000000 ] - [ -0.0000889300000000, 0.0000003300000000, -0.0005674500000000 ] - [ 0.0000055600000000, 0.0000366000000000, -0.0005802500000000 ] - [ 0.0000055600000000, -0.0000360300000000, -0.0005545600000000 ] - [ 0.0000325800000000, -0.0000002600000000, 0.0005509500000000 ] - [ 0.0000286200000000, -0.0000004500000000, 0.0005513900000000 ] - [ -0.0000469700000000, -0.0000441100000000, 0.0003893200000000 ] - [ -0.0000472100000000, 0.0000432900000000, 0.0007128000000000 ] - [ 0.0000002700000000, -0.0000002800000000, -0.0007775200000000 ] - [ -0.0000018100000000, -0.0000002600000000, -0.0007775000000000 ] - [ 0.0000019200000000, -0.0000012000000000, -0.0007802700000000 ] - [ 0.0000019500000000, 0.0000007300000000, -0.0007746700000000 ] - [ -0.0000001500000000, 0.0000002100000000, 0.0007983000000000 ] - [ 0.0000001100000000, 0.0000002100000000, 0.0007983400000000 ] - [ -0.0000002000000000, 0.0000002500000000, 0.0007983300000000 ] - [ -0.0000002100000000, 0.0000001800000000, 0.0007983000000000 ] - [ -0.0000002500000000, 0.0000001900000000, -0.0005506700000000 ] - [ -0.0000007100000000, 0.0000001800000000, -0.0005506900000000 ] - [ -0.0000005000000000, 0.0000003100000000, -0.0005507100000000 ] - [ -0.0000005200000000, 0.0000000800000000, -0.0005507300000000 ] - [ -0.0000001600000000, 0.0000001300000000, 0.0007257200000000 ] - [ -0.0000006200000000, 0.0000001400000000, 0.0007257000000000 ] - [ -0.0000004200000000, 0.0000003000000000, 0.0007258300000000 ] - [ -0.0000004200000000, 0.0000000000000000, 0.0007256500000000 ] - [ 0.0000013200000000, -0.0000001800000000, -0.0007208900000000 ] - [ 0.0000000700000000, -0.0000001700000000, -0.0007209000000000 ] - [ 0.0000001200000000, -0.0000002200000000, -0.0007211700000000 ] - [ 0.0000001300000000, -0.0000001500000000, -0.0007210800000000 ] - [ -0.0000002000000000, -0.0000002300000000, 0.0005678300000000 ] - [ -0.0000002000000000, -0.0000003800000000, 0.0005675600000000 ] - [ 0.0000000200000000, -0.0000003100000000, 0.0005677600000000 ] - [ -0.0000003300000000, -0.0000003200000000, 0.0005677100000000 ] - [ 0.0000000700000000, 0.0000003500000000, -0.0005781800000000 ] - [ -0.0000001000000000, 0.0000003500000000, -0.0005781800000000 ] - [ -0.0000002000000000, 0.0000002800000000, -0.0005781000000000 ] - [ -0.0000002300000000, 0.0000004200000000, -0.0005781900000000 ] - [ 0.0000000400000000, -0.0000001000000000, 0.0005343500000000 ] - [ 0.0000000400000000, -0.0000002200000000, 0.0005342900000000 ] - [ 0.0000001600000000, -0.0000001500000000, 0.0005342900000000 ] - [ -0.0000000700000000, -0.0000001500000000, 0.0005342700000000 ] - [ -0.0000006300000000, -0.0000002500000000, -0.0007812500000000 ] - [ -0.0000002600000000, -0.0000002500000000, -0.0007812800000000 ] - [ 0.0000001500000000, -0.0000000300000000, -0.0007812700000000 ] - [ 0.0000001200000000, -0.0000004800000000, -0.0007812300000000 ] - [ 0.0000003500000000, 0.0000002500000000, 0.0007814500000000 ] - [ -0.0000002500000000, 0.0000002600000000, 0.0007814100000000 ] - [ -0.0000002000000000, 0.0000002700000000, 0.0007812500000000 ] - [ -0.0000002100000000, 0.0000002400000000, 0.0007816200000000 ] - [ -0.0000004000000000, -0.0000001400000000, -0.0005318800000000 ] - [ -0.0000004000000000, 0.0000005200000000, -0.0005320300000000 ] - [ -0.0000003600000000, 0.0000001900000000, -0.0005319200000000 ] - [ 0.0000001700000000, 0.0000001900000000, -0.0005319600000000 ] - [ -0.0000003700000000, 0.0000001800000000, 0.0007212500000000 ] - [ 0.0000009700000000, 0.0000001700000000, 0.0007211200000000 ] - [ -0.0000003400000000, -0.0000005800000000, 0.0007254200000000 ] - [ -0.0000003400000000, 0.0000009500000000, 0.0007168600000000 ] - [ 0.0000005000000000, 0.0000000900000000, -0.0007254200000000 ] - [ 0.0000005000000000, -0.0000003700000000, -0.0007256800000000 ] - [ -0.0000000100000000, -0.0000001300000000, -0.0007255900000000 ] - [ 0.0000001200000000, -0.0000001400000000, -0.0007256000000000 ] - [ -0.0000002300000000, -0.0000003500000000, 0.0005976400000000 ] - [ 0.0000000300000000, -0.0000003600000000, 0.0005976400000000 ] - [ -0.0000000800000000, -0.0000004500000000, 0.0005975900000000 ] - [ -0.0000000700000000, -0.0000002600000000, 0.0005976700000000 ] - [ 0.0000001600000000, 0.0000007600000000, -0.0005975600000000 ] - [ 0.0000001700000000, -0.0000000400000000, -0.0005972900000000 ] - [ -0.0000000400000000, 0.0000003500000000, -0.0005974000000000 ] - [ -0.0000005200000000, 0.0000003500000000, -0.0005974100000000 ] - [ 0.0000001900000000, -0.0000001900000000, 0.0005321600000000 ] - [ 0.0000004600000000, -0.0000001900000000, 0.0005322200000000 ] - [ 0.0000000600000000, -0.0000001300000000, 0.0005321900000000 ] - [ 0.0000000500000000, -0.0000002600000000, 0.0005321400000000 ] - [ 0.0000001300000000, -0.0000011700000000, -0.0007981800000000 ] - [ 0.0000001500000000, 0.0000007100000000, -0.0007980300000000 ] - [ -0.0000017200000000, -0.0000002100000000, -0.0007981600000000 ] - [ 0.0000017700000000, -0.0000001900000000, -0.0007981700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002201500000000 ] - [ 0.0000000000000000, -0.0002952600000000, -0.0001023500000000 ] - [ 0.0002557000000000, 0.0001476300000000, -0.0001023500000000 ] - [ -0.0002557000000000, 0.0001476300000000, -0.0001023500000000 ] - [ -0.0000611900000000, -0.0000353300000000, -0.0001912000000000 ] - [ 0.0000611900000000, -0.0000353300000000, -0.0001912000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001673300000000 ] - [ 0.0000000000000000, 0.0000706600000000, -0.0001912000000000 ] - [ -0.0077896300000000, -0.0044973400000000, 0.0092019500000000 ] - [ 0.0077896300000000, -0.0044973400000000, 0.0092019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031940900000000 ] - [ 0.0000000000000000, 0.0089946900000000, 0.0092019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000024400000000 ] - [ 0.0000000000000000, -0.0000054400000000, 0.0000084800000000 ] - [ 0.0000047100000000, 0.0000027200000000, 0.0000084800000000 ] - [ -0.0000047100000000, 0.0000027200000000, 0.0000084800000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0000594100000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0000594100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000589800000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0000594100000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0003074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003065600000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0003074500000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0003074500000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0000267800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000265600000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0000267800000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0000267800000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0000198300000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0000198300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000193100000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0000198300000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0001885000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001883500000000 ] - [ -0.0000001800000000, 0.0000001000000000, -0.0001885000000000 ] - [ 0.0000001800000000, 0.0000001000000000, -0.0001885000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003515300000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0003516900000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0003516900000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0003516900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001418400000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0001422800000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0001422800000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0001422800000000 ] - [ 0.0000000000000000, -0.0000031100000000, -0.0001484200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001499500000000 ] - [ -0.0000026900000000, 0.0000015500000000, -0.0001484200000000 ] - [ 0.0000026900000000, 0.0000015500000000, -0.0001484200000000 ] - [ -0.0000126900000000, -0.0000073300000000, 0.0007423900000000 ] - [ 0.0000126900000000, -0.0000073300000000, 0.0007423900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011323300000000 ] - [ 0.0000000000000000, 0.0000146600000000, 0.0007423900000000 ] - [ 0.0000000000000000, -0.0040274800000000, 0.0031659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015200600000000 ] - [ -0.0034879000000000, 0.0020137400000000, 0.0031659700000000 ] - [ 0.0034879000000000, 0.0020137400000000, 0.0031659700000000 ] - [ 0.0000043300000000, 0.0000025000000000, 0.0007952600000000 ] - [ -0.0000043300000000, 0.0000025000000000, 0.0007952600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007944900000000 ] - [ 0.0000000000000000, -0.0000049900000000, 0.0007952600000000 ] - [ 0.0000000000000000, 0.0005621300000000, -0.0001097000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008499800000000 ] - [ 0.0004868200000000, -0.0002810700000000, -0.0001097000000000 ] - [ -0.0004868200000000, -0.0002810700000000, -0.0001097000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0361181400000000 ] - [ 0.0000000000000000, 0.0001367500000000, -0.0012147700000000 ] - [ -0.0001184300000000, -0.0000683700000000, -0.0012147700000000 ] - [ 0.0001184300000000, -0.0000683700000000, -0.0012147700000000 ] - [ 0.0000000000000000, -0.0000149000000000, -0.0005350600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004605900000000 ] - [ -0.0000129100000000, 0.0000074500000000, -0.0005350600000000 ] - [ 0.0000129100000000, 0.0000074500000000, -0.0005350600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005143300000000 ] - [ 0.0000000000000000, -0.0000496400000000, 0.0006454600000000 ] - [ 0.0000429900000000, 0.0000248200000000, 0.0006454600000000 ] - [ -0.0000429900000000, 0.0000248200000000, 0.0006454600000000 ] - [ 0.0000000000000000, -0.0000012900000000, -0.0007234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007330300000000 ] - [ -0.0000011200000000, 0.0000006500000000, -0.0007234000000000 ] - [ 0.0000011200000000, 0.0000006500000000, -0.0007234000000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0008504400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008503800000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0008504400000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0008504400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004979100000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0004983300000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0004983300000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0004983300000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0007779000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007771900000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0007779000000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0007779000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006677200000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0006689800000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0006689800000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0006689800000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0006191400000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0006191400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006192100000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0006191400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005261400000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0005266100000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0005266100000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0005266100000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0005863200000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0005863200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005860600000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0005863200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007295700000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0007294100000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0007294100000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0007294100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008334400000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0008340900000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0008340900000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0008340900000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0004797900000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0004797900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004798700000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0004797900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007710700000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0007743200000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0007743200000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0007743200000000 ] - [ 0.0000001800000000, 0.0000001000000000, -0.0006733200000000 ] - [ -0.0000001800000000, 0.0000001000000000, -0.0006733200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006735600000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0006733200000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0006490700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006489900000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0006490700000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0006490700000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0005455900000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0005455900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005460400000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0005455900000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0005843100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005842200000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0005843100000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0005843100000000 ] - [ 0.0000004800000000, 0.0000002800000000, -0.0007464800000000 ] - [ -0.0000004800000000, 0.0000002800000000, -0.0007464800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007448300000000 ] - [ 0.0000000000000000, -0.0000005500000000, -0.0007464800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000012000000000 ] - [ 0.0000000000000000, 0.0002877800000000, -0.0001148600000000 ] - [ -0.0002492300000000, -0.0001438900000000, -0.0001148600000000 ] - [ 0.0002492300000000, -0.0001438900000000, -0.0001148600000000 ] - [ 0.0000618600000000, 0.0000357200000000, 0.0000339800000000 ] - [ -0.0000618600000000, 0.0000357200000000, 0.0000339800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000102200000000 ] - [ 0.0000000000000000, -0.0000714400000000, 0.0000339800000000 ] - [ 0.0080335500000000, 0.0046381700000000, -0.0088922000000000 ] - [ -0.0080335500000000, 0.0046381700000000, -0.0088922000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027965200000000 ] - [ 0.0000000000000000, -0.0092763400000000, -0.0088922000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002210300000000 ] - [ 0.0000000000000000, 0.0000053100000000, 0.0002102900000000 ] - [ -0.0000046000000000, -0.0000026500000000, 0.0002102900000000 ] - [ 0.0000046000000000, -0.0000026500000000, 0.0002102900000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0001478800000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0001478800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001475000000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0001478800000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0000989300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000997700000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0000989300000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0000989300000000 ] - [ 0.0000000000000000, -0.0000004000000000, 0.0001818700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001817200000000 ] - [ -0.0000003400000000, 0.0000002000000000, 0.0001818700000000 ] - [ 0.0000003400000000, 0.0000002000000000, 0.0001818700000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0001875200000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0001875200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001869100000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0001875200000000 ] - [ 0.0000000000000000, 0.0000001600000000, 0.0000188800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000187500000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0000188800000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0000188800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001432300000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0001430600000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0001430600000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0001430600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003510700000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0003504100000000 ] - [ -0.0000000400000000, -0.0000000300000000, 0.0003504100000000 ] - [ 0.0000000400000000, -0.0000000300000000, 0.0003504100000000 ] - [ 0.0000000000000000, 0.0000032400000000, 0.0000581700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000597600000000 ] - [ 0.0000028100000000, -0.0000016200000000, 0.0000581700000000 ] - [ -0.0000028100000000, -0.0000016200000000, 0.0000581700000000 ] - [ 0.0000122900000000, 0.0000071000000000, 0.0008104800000000 ] - [ -0.0000122900000000, 0.0000071000000000, 0.0008104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004301800000000 ] - [ 0.0000000000000000, -0.0000142000000000, 0.0008104800000000 ] - [ 0.0000000000000000, 0.0040872100000000, -0.0042965600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004536900000000 ] - [ 0.0035396200000000, -0.0020436000000000, -0.0042965600000000 ] - [ -0.0035396200000000, -0.0020436000000000, -0.0042965600000000 ] - [ -0.0000042300000000, -0.0000024400000000, 0.0006897300000000 ] - [ 0.0000042300000000, -0.0000024400000000, 0.0006897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006904700000000 ] - [ 0.0000000000000000, 0.0000048800000000, 0.0006897300000000 ] - [ 0.0000000000000000, -0.0005444400000000, -0.0013544100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006383200000000 ] - [ -0.0004715000000000, 0.0002722200000000, -0.0013544100000000 ] - [ 0.0004715000000000, 0.0002722200000000, -0.0013544100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0377200400000000 ] - [ 0.0000000000000000, -0.0001297700000000, 0.0023605100000000 ] - [ 0.0001123900000000, 0.0000648900000000, 0.0023605100000000 ] - [ -0.0001123900000000, 0.0000648900000000, 0.0023605100000000 ] - [ 0.0000000000000000, 0.0000149900000000, -0.0005985100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006735200000000 ] - [ 0.0000129800000000, -0.0000075000000000, -0.0005985100000000 ] - [ -0.0000129800000000, -0.0000075000000000, -0.0005985100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005874000000000 ] - [ 0.0000000000000000, 0.0000496600000000, 0.0004557900000000 ] - [ -0.0000430100000000, -0.0000248300000000, 0.0004557900000000 ] - [ 0.0000430100000000, -0.0000248300000000, 0.0004557900000000 ] - [ 0.0000000000000000, 0.0000012700000000, -0.0008305400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008211500000000 ] - [ 0.0000011000000000, -0.0000006400000000, -0.0008305400000000 ] - [ -0.0000011000000000, -0.0000006400000000, -0.0008305400000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0007454900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007456500000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0007454900000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0007454900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006021800000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0006018700000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0006018700000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0006018700000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0006729200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006735200000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0006729200000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0006729200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007731800000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0007725500000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0007725500000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0007725500000000 ] - [ -0.0000001300000000, -0.0000000700000000, 0.0005155700000000 ] - [ 0.0000001300000000, -0.0000000700000000, 0.0005155700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005155200000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0005155700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006289400000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0006284100000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0006284100000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0006284100000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0004815800000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0004815800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004819700000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0004815800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008317100000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0008320100000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0008320100000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0008320100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007288100000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0007282900000000 ] - [ -0.0000000400000000, -0.0000000300000000, 0.0007282900000000 ] - [ 0.0000000400000000, -0.0000000300000000, 0.0007282900000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0005829400000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0005829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005827400000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0005829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006706600000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0006672600000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0006672600000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0006672600000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0007765500000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0007765500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007762700000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0007765500000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0005454600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005455700000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0005454600000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0005454600000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0006481000000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0006481000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006474500000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0006481000000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0004793800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004794000000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0004793800000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0004793800000000 ] - [ -0.0000005100000000, -0.0000002900000000, -0.0008486100000000 ] - [ 0.0000005100000000, -0.0000002900000000, -0.0008486100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008501700000000 ] - [ 0.0000000000000000, 0.0000005800000000, -0.0008486100000000 ]